CID 15256327

4-hydroxymethyl-pyrrolidin-2-one

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1C(CNC1=O)CO
InChI
InChI=1S/C5H9NO2/c7-3-4-1-5(8)6-2-4/h4,7H,1-3H2,(H,6,8)
InChIKey
KTOFYLXSANIPND-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

350
Patents

115.06333 Da
Monoisotopic Mass

-1.2
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

literature stripe

Patent stripe

patents stripe