CID 16227641

1396965-10-8

Structural Information

Molecular Formula
C13H17FN2O3
SMILES
CCCC(C(=O)O)NC(=O)NCC1=CC=C(C=C1)F
InChI
InChI=1S/C13H17FN2O3/c1-2-3-11(12(17)18)16-13(19)15-8-9-4-6-10(14)7-5-9/h4-7,11H,2-3,8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKey
PMQAYERLSSGGCA-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methylcarbamoylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1223 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.129576 161.3
[M+Na]+ 291.111518 165.5
[M-H]- 267.115024 161.8
[M+NH4]+ 286.156123 176.1
[M+K]+ 307.085458 163.3
[M+H-H2O]+ 251.119560 153.3
[M+HCOO]- 313.120501 182.1
[M+CH3COO]- 327.136151 200.5
[M+Na-2H]- 289.096966 162.4
[M]+ 268.12175142 159.3
[M]- 268.12284858 159.3
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.