CID 54693708

3-pyrrolin-2-one, 4-hydroxy-3-methyl-, ammonium salt

Structural Information

Molecular Formula
C5H7NO2
SMILES
CC1=C(CNC1=O)O
InChI
InChI=1S/C5H7NO2/c1-3-4(7)2-6-5(3)8/h7H,2H2,1H3,(H,6,8)
InChIKey
RPFGDAVXGKFDMT-UHFFFAOYSA-N
Compound name
3-hydroxy-4-methyl-1,2-dihydropyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

113.047676 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 119.7
[M+Na]+ 136.036894 128.9
[M-H]- 112.040400 119.9
[M+NH4]+ 131.081499 141.9
[M+K]+ 152.010834 127.0
[M+H-H2O]+ 96.044936 115.0
[M+HCOO]- 158.045877 141.1
[M+CH3COO]- 172.061527 162.4
[M+Na-2H]- 134.022342 124.3
[M]+ 113.04712742 117.0
[M]- 113.04822458 117.0
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