CID 10313118

3-hydroxy-1-methylpyrrolidin-2-one

Structural Information

Molecular Formula
C5H9NO2
SMILES
CN1CCC(C1=O)O
InChI
InChI=1S/C5H9NO2/c1-6-3-2-4(7)5(6)8/h4,7H,2-3H2,1H3
InChIKey
ZHQJIJUMPYNVAZ-UHFFFAOYSA-N
Compound name
3-hydroxy-1-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

412
Patents

115.06333 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 120.9
[M+Na]+ 138.052548 129.5
[M-H]- 114.056054 122.1
[M+NH4]+ 133.097153 143.6
[M+K]+ 154.026488 128.7
[M+H-H2O]+ 98.060590 115.9
[M+HCOO]- 160.061531 142.3
[M+CH3COO]- 174.077181 165.4
[M+Na-2H]- 136.037996 125.0
[M]+ 115.06278142 118.6
[M]- 115.06387858 118.6
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