CID 91758012

2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)cyclooctane-1-carboxylic acid

Structural Information

Molecular Formula
C24H27NO4
SMILES
C1CCCC(C(CC1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H27NO4/c26-23(27)20-13-3-1-2-4-14-22(20)25-24(28)29-15-21-18-11-7-5-9-16(18)17-10-6-8-12-19(17)21/h5-12,20-22H,1-4,13-15H2,(H,25,28)(H,26,27)
InChIKey
WWGXOZWLVAOLTC-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.194 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.20128 184.0
[M+Na]+ 416.18322 186.7
[M-H]- 392.18672 186.6
[M+NH4]+ 411.22782 189.9
[M+K]+ 432.15716 185.3
[M+H-H2O]+ 376.19126 179.1
[M+HCOO]- 438.19220 190.3
[M+CH3COO]- 452.20785 186.2
[M+Na-2H]- 414.16867 180.4
[M]+ 393.19345 182.1
[M]- 393.19455 182.1
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.