CID 637997

4031-15-6

Structural Information

Molecular Formula
C4H5NO
SMILES
C1C=CC(=O)N1
InChI
InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)
InChIKey
CDCHBOQVXIGZHA-UHFFFAOYSA-N
Compound name
1,2-dihydropyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1892
Patents

83.03712 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.044396 112.3
[M+Na]+ 106.02634 120.5
[M-H]- 82.029844 113.3
[M+NH4]+ 101.07094 135.8
[M+K]+ 122.00028 119.4
[M+H-H2O]+ 66.034380 107.1
[M+HCOO]- 128.03532 135.4
[M+CH3COO]- 142.05097 157.7
[M+Na-2H]- 104.01179 119.3
[M]+ 83.036571 108.9
[M]- 83.037669 108.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe