CID 11760344

6-((((9h-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)hexanoic acid

Structural Information

Molecular Formula
C22H25NO4
SMILES
CN(CCCCCC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H25NO4/c1-23(14-8-2-3-13-21(24)25)22(26)27-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20H,2-3,8,13-15H2,1H3,(H,24,25)
InChIKey
PNRDWMGJZQEECF-UHFFFAOYSA-N
Compound name
6-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

367.17834 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18562 190.3
[M+Na]+ 390.16756 194.7
[M-H]- 366.17106 194.8
[M+NH4]+ 385.21216 205.8
[M+K]+ 406.14150 191.3
[M+H-H2O]+ 350.17560 182.7
[M+HCOO]- 412.17654 209.8
[M+CH3COO]- 426.19219 220.3
[M+Na-2H]- 388.15301 190.9
[M]+ 367.17779 195.2
[M]- 367.17889 195.2
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

patents stripe