CID 5135850

4-(propylcarbamoyl)butanoic acid

Structural Information

Molecular Formula
C8H15NO3
SMILES
CCCNC(=O)CCCC(=O)O
InChI
InChI=1S/C8H15NO3/c1-2-6-9-7(10)4-3-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)
InChIKey
PPXIZOJZOSPHLC-UHFFFAOYSA-N
Compound name
5-oxo-5-(propylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

173.1052 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.112476 139.8
[M+Na]+ 196.094418 145.0
[M-H]- 172.097924 138.4
[M+NH4]+ 191.139023 159.0
[M+K]+ 212.068358 144.4
[M+H-H2O]+ 156.102460 134.5
[M+HCOO]- 218.103401 161.6
[M+CH3COO]- 232.119051 180.6
[M+Na-2H]- 194.079866 142.9
[M]+ 173.10465142 140.6
[M]- 173.10574858 140.6
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

patents stripe