CID 3157177

2-(pyrrolidin-1-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC(C(=O)O)N1CCCC1
InChI
InChI=1S/C7H13NO2/c1-6(7(9)10)8-4-2-3-5-8/h6H,2-5H2,1H3,(H,9,10)
InChIKey
HAEBOIOLDSOIGG-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

128
Patents

143.09464 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 132.1
[M+Na]+ 166.08386 137.5
[M-H]- 142.08736 132.4
[M+NH4]+ 161.12846 152.9
[M+K]+ 182.05780 137.2
[M+H-H2O]+ 126.09190 126.3
[M+HCOO]- 188.09284 150.9
[M+CH3COO]- 202.10849 170.9
[M+Na-2H]- 164.06931 134.0
[M]+ 143.09409 128.6
[M]- 143.09519 128.6
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