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
2
Annotation Hits

1
References

1693
Patents

115.06333 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 122.6
[M+Na]+ 138.05255 132.1
[M+NH4]+ 133.09715 130.3
[M+K]+ 154.02649 129.3
[M-H]- 114.05605 122.1
[M+Na-2H]- 136.03800 126.2
[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