CID 84911

1-(hydroxymethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1CC(=O)N(C1)CO
InChI
InChI=1S/C5H9NO2/c7-4-6-3-1-2-5(6)8/h7H,1-4H2
InChIKey
PJEXUIKBGBSHBS-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

2193
Patents

115.06333 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 121.5
[M+Na]+ 138.052548 129.2
[M-H]- 114.056054 122.3
[M+NH4]+ 133.097153 143.9
[M+K]+ 154.026488 128.4
[M+H-H2O]+ 98.060590 116.2
[M+HCOO]- 160.061531 143.0
[M+CH3COO]- 174.077181 164.3
[M+Na-2H]- 136.037996 126.3
[M]+ 115.06278142 118.9
[M]- 115.06387858 118.9
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