CID 138989275

2157980-58-8

Structural Information

Molecular Formula
C24H29NO4
SMILES
CCCCCC(C)(CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C24H29NO4/c1-3-4-9-14-24(2,15-22(26)27)25-23(28)29-16-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21/h5-8,10-13,21H,3-4,9,14-16H2,1-2H3,(H,25,28)(H,26,27)
InChIKey
QVCLBNCSMJHLQS-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyloctanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.20966 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.21694 199.3
[M+Na]+ 418.19888 203.0
[M-H]- 394.20238 202.2
[M+NH4]+ 413.24348 213.1
[M+K]+ 434.17282 198.5
[M+H-H2O]+ 378.20692 192.2
[M+HCOO]- 440.20786 216.0
[M+CH3COO]- 454.22351 223.4
[M+Na-2H]- 416.18433 200.8
[M]+ 395.20911 203.2
[M]- 395.21021 203.2
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

No patent data available for this compound.