CID 558359

5-(hydroxymethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1CC(=O)NC1CO
InChI
InChI=1S/C5H9NO2/c7-3-4-1-2-5(8)6-4/h4,7H,1-3H2,(H,6,8)
InChIKey
HOBJEFOCIRXQKH-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

2414
Patents

115.06333 Da
Monoisotopic Mass

-1.0
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

literature stripe

Patent stripe

patents stripe