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

157
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 122.5
[M+Na]+ 138.05255 129.7
[M-H]- 114.05605 121.9
[M+NH4]+ 133.09715 144.1
[M+K]+ 154.02649 128.0
[M+H-H2O]+ 98.060590 117.3
[M+HCOO]- 160.06153 142.4
[M+CH3COO]- 174.07718 161.7
[M+Na-2H]- 136.03800 126.7
[M]+ 115.06278 117.9
[M]- 115.06388 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