CID 138

5-aminovaleric acid

Structural Information

Molecular Formula
C5H11NO2
SMILES
C(CCN)CC(=O)O
InChI
InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
InChIKey
JJMDCOVWQOJGCB-UHFFFAOYSA-N
Compound name
5-aminopentanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

192
References

16383
Patents

117.07898 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.086256 124.5
[M+Na]+ 140.068198 130.9
[M-H]- 116.071704 123.0
[M+NH4]+ 135.112803 145.8
[M+K]+ 156.042138 130.3
[M+H-H2O]+ 100.076240 119.9
[M+HCOO]- 162.077181 147.2
[M+CH3COO]- 176.092831 169.5
[M+Na-2H]- 138.053646 129.4
[M]+ 117.07843142 123.1
[M]- 117.07952858 123.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe