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]+ 396.216936 199.3
[M+Na]+ 418.198878 203.0
[M-H]- 394.202384 202.2
[M+NH4]+ 413.243483 213.1
[M+K]+ 434.172818 198.5
[M+H-H2O]+ 378.206920 192.2
[M+HCOO]- 440.207861 216.0
[M+CH3COO]- 454.223511 223.4
[M+Na-2H]- 416.184326 200.8
[M]+ 395.20911142 203.2
[M]- 395.21020858 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.