CID 12698981

3-(hydroxymethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1CNC(=O)C1CO
InChI
InChI=1S/C5H9NO2/c7-3-4-1-2-6-5(4)8/h4,7H,1-3H2,(H,6,8)
InChIKey
PMVLHRHRTOBBHS-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

115.06333 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 122.5
[M+Na]+ 138.052548 129.7
[M-H]- 114.056054 121.9
[M+NH4]+ 133.097153 144.1
[M+K]+ 154.026488 128.0
[M+H-H2O]+ 98.060590 117.3
[M+HCOO]- 160.061531 142.4
[M+CH3COO]- 174.077181 161.7
[M+Na-2H]- 136.037996 126.7
[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

No literature data available for this compound.

Patent stripe

patents stripe