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

146
Patents

115.06333 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 122.9
[M+Na]+ 138.05255 131.9
[M+NH4]+ 133.09715 130.3
[M+K]+ 154.02649 129.4
[M-H]- 114.05605 122.0
[M+Na-2H]- 136.03800 125.9
[M]+ 115.06278 123.4
[M]- 115.06388 123.4
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