CID 54693708

78308-53-9

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

1
Patents

113.047676 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.05495 120.7
[M+Na]+ 136.03689 131.0
[M+NH4]+ 131.08150 128.2
[M+K]+ 152.01083 128.6
[M-H]- 112.04040 120.0
[M+Na-2H]- 134.02234 124.5
[M]+ 113.04713 121.6
[M]- 113.04822 121.6
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