CID 130837301

1866014-66-5

Structural Information

Molecular Formula
C21H23NO4
SMILES
CC(CCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)CC(=O)O
InChI
InChI=1S/C21H23NO4/c1-14(12-20(23)24)10-11-22-21(25)26-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,14,19H,10-13H2,1H3,(H,22,25)(H,23,24)
InChIKey
ZONNECIESUVLEW-UHFFFAOYSA-N
Compound name
5-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.16272 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17000 185.3
[M+Na]+ 376.15194 189.7
[M-H]- 352.15544 188.6
[M+NH4]+ 371.19654 200.7
[M+K]+ 392.12588 185.8
[M+H-H2O]+ 336.15998 178.2
[M+HCOO]- 398.16092 203.7
[M+CH3COO]- 412.17657 215.1
[M+Na-2H]- 374.13739 186.1
[M]+ 353.16217 188.1
[M]- 353.16327 188.1
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.