CID 145866908

1695096-84-4

Structural Information

Molecular Formula
C23H25NO4
SMILES
C1CCCN(C(CC1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H25NO4/c25-22(26)21-13-3-1-2-8-14-24(21)23(27)28-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20-21H,1-3,8,13-15H2,(H,25,26)
InChIKey
NKKMBGCQDKVMCL-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)azocane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.17834 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18562 182.9
[M+Na]+ 402.16756 186.1
[M-H]- 378.17106 185.1
[M+NH4]+ 397.21216 188.6
[M+K]+ 418.14150 184.7
[M+H-H2O]+ 362.17560 177.7
[M+HCOO]- 424.17654 188.3
[M+CH3COO]- 438.19219 185.2
[M+Na-2H]- 400.15301 179.2
[M]+ 379.17779 181.3
[M]- 379.17889 181.3
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.