CID 17811779

4-hydroxy-1-methylpyrrolidin-2-one

Structural Information

Molecular Formula
C5H9NO2
SMILES
CN1CC(CC1=O)O
InChI
InChI=1S/C5H9NO2/c1-6-3-4(7)2-5(6)8/h4,7H,2-3H2,1H3
InChIKey
YRVPVSMWSPGZSV-UHFFFAOYSA-N
Compound name
4-hydroxy-1-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

115.06333 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 120.9
[M+Na]+ 138.05255 129.5
[M-H]- 114.05605 122.1
[M+NH4]+ 133.09715 143.6
[M+K]+ 154.02649 128.7
[M+H-H2O]+ 98.060590 115.9
[M+HCOO]- 160.06153 142.3
[M+CH3COO]- 174.07718 165.4
[M+Na-2H]- 136.03800 125.0
[M]+ 115.06278 118.6
[M]- 115.06388 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