CID 5249294

1-(hydroxymethyl)-5-oxo-dl-proline

Structural Information

Molecular Formula
C6H9NO4
SMILES
C1CC(=O)N(C1C(=O)O)CO
InChI
InChI=1S/C6H9NO4/c8-3-7-4(6(10)11)1-2-5(7)9/h4,8H,1-3H2,(H,10,11)
InChIKey
ADXZNWSXVJABKX-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

159.05316 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.060436 130.6
[M+Na]+ 182.042378 138.2
[M-H]- 158.045884 130.3
[M+NH4]+ 177.086983 150.5
[M+K]+ 198.016318 137.1
[M+H-H2O]+ 142.050420 125.5
[M+HCOO]- 204.051361 149.8
[M+CH3COO]- 218.067011 170.2
[M+Na-2H]- 180.027826 132.6
[M]+ 159.05261142 128.4
[M]- 159.05370858 128.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe