CID 5318294

4-(hydroxymethyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C6H11NO3
SMILES
C1C(CNC1C(=O)O)CO
InChI
InChI=1S/C6H11NO3/c8-3-4-1-5(6(9)10)7-2-4/h4-5,7-8H,1-3H2,(H,9,10)
InChIKey
CISMGNUPDUKNQK-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

85
Patents

145.0739 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.08118 130.9
[M+Na]+ 168.06312 136.9
[M-H]- 144.06662 128.8
[M+NH4]+ 163.10772 150.5
[M+K]+ 184.03706 135.0
[M+H-H2O]+ 128.07116 125.7
[M+HCOO]- 190.07210 148.2
[M+CH3COO]- 204.08775 165.2
[M+Na-2H]- 166.04857 132.9
[M]+ 145.07335 125.7
[M]- 145.07445 125.7
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