CID 1501970

(3r)-pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1CNC[C@@H]1C(=O)O
InChI
InChI=1S/C5H9NO2/c7-5(8)4-1-2-6-3-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1
InChIKey
JAEIBKXSIXOLOL-SCSAIBSYSA-N
Compound name
(3R)-pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

9506
Patents

115.06333 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 123.5
[M+Na]+ 138.052548 129.5
[M-H]- 114.056054 122.6
[M+NH4]+ 133.097153 144.7
[M+K]+ 154.026488 128.3
[M+H-H2O]+ 98.060590 118.1
[M+HCOO]- 160.061531 142.4
[M+CH3COO]- 174.077181 161.4
[M+Na-2H]- 136.037996 127.1
[M]+ 115.06278142 117.9
[M]- 115.06387858 117.9
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