CID 165658659

Rac-(1r,2s)-2-(1-{[(9h-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C24H25NO4
SMILES
C1CN(CCC1C2CC2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C24H25NO4/c26-23(27)21-13-20(21)15-9-11-25(12-10-15)24(28)29-14-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-8,15,20-22H,9-14H2,(H,26,27)
InChIKey
LCBSYVYKMQEFMY-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.17834 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.18562 191.5
[M+Na]+ 414.16756 197.6
[M-H]- 390.17106 199.4
[M+NH4]+ 409.21216 199.2
[M+K]+ 430.14150 191.3
[M+H-H2O]+ 374.17560 183.4
[M+HCOO]- 436.17654 204.7
[M+CH3COO]- 450.19219 199.4
[M+Na-2H]- 412.15301 189.6
[M]+ 391.17779 192.0
[M]- 391.17889 192.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.