CID 440282

1-pyrroline-4-hydroxy-2-carboxylate

Structural Information

Molecular Formula
C5H7NO3
SMILES
C1C(CN=C1C(=O)O)O
InChI
InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h3,7H,1-2H2,(H,8,9)
InChIKey
AOMLMYXPXUTBQH-UHFFFAOYSA-N
Compound name
3-hydroxy-3,4-dihydro-2H-pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

11
Patents

129.04259 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 123.3
[M+Na]+ 152.03181 131.2
[M-H]- 128.03531 123.2
[M+NH4]+ 147.07641 144.4
[M+K]+ 168.00575 130.3
[M+H-H2O]+ 112.03985 118.1
[M+HCOO]- 174.04079 144.0
[M+CH3COO]- 188.05644 164.2
[M+Na-2H]- 150.01726 127.4
[M]+ 129.04204 121.1
[M]- 129.04314 121.1
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