CID 301260

79641-88-6

Structural Information

Molecular Formula
C5H7NO2
SMILES
CC1=CC(=O)NC1O
InChI
InChI=1S/C5H7NO2/c1-3-2-4(7)6-5(3)8/h2,5,8H,1H3,(H,6,7)
InChIKey
CYAOUMDYSMFSPI-UHFFFAOYSA-N
Compound name
2-hydroxy-3-methyl-1,2-dihydropyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

113.047676 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.05495 119.7
[M+Na]+ 136.03689 128.9
[M-H]- 112.04040 119.9
[M+NH4]+ 131.08150 141.9
[M+K]+ 152.01083 127.0
[M+H-H2O]+ 96.044936 115.0
[M+HCOO]- 158.04588 141.1
[M+CH3COO]- 172.06153 162.4
[M+Na-2H]- 134.02234 124.3
[M]+ 113.04713 117.0
[M]- 113.04822 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