CID 558407

3-(1-pyrrolidinyl)propanoic acid

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1CCN(C1)CCC(=O)O
InChI
InChI=1S/C7H13NO2/c9-7(10)3-6-8-4-1-2-5-8/h1-6H2,(H,9,10)
InChIKey
BRSKDXVJFXXUKX-UHFFFAOYSA-N
Compound name
3-pyrrolidin-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1219
Patents

143.09464 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 131.8
[M+Na]+ 166.08386 137.4
[M-H]- 142.08736 132.0
[M+NH4]+ 161.12846 152.6
[M+K]+ 182.05780 136.6
[M+H-H2O]+ 126.09190 125.8
[M+HCOO]- 188.09284 151.6
[M+CH3COO]- 202.10849 170.1
[M+Na-2H]- 164.06931 134.9
[M]+ 143.09409 128.9
[M]- 143.09519 128.9
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