CID 2756091

126631-93-4

Structural Information

Molecular Formula
C23H27NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCCCCCC(=O)O
InChI
InChI=1S/C23H27NO4/c25-22(26)14-4-2-1-3-9-15-24-23(27)28-16-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21/h5-8,10-13,21H,1-4,9,14-16H2,(H,24,27)(H,25,26)
InChIKey
QZQXRZXYWVQWAY-UHFFFAOYSA-N
Compound name
8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

492
Patents

381.194 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.20128 193.9
[M+Na]+ 404.18322 197.7
[M-H]- 380.18672 196.7
[M+NH4]+ 399.22782 208.2
[M+K]+ 420.15716 192.7
[M+H-H2O]+ 364.19126 186.2
[M+HCOO]- 426.19220 212.6
[M+CH3COO]- 440.20785 220.0
[M+Na-2H]- 402.16867 194.8
[M]+ 381.19345 197.9
[M]- 381.19455 197.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe