CID 19391019

4-phenyl-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C10H9NO
SMILES
C1C(=CC(=O)N1)C2=CC=CC=C2
InChI
InChI=1S/C10H9NO/c12-10-6-9(7-11-10)8-4-2-1-3-5-8/h1-6H,7H2,(H,11,12)
InChIKey
VFSVLYUMPJSASL-UHFFFAOYSA-N
Compound name
3-phenyl-1,2-dihydropyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

159.06842 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 131.6
[M+Na]+ 182.05764 139.7
[M-H]- 158.06114 135.8
[M+NH4]+ 177.10224 152.0
[M+K]+ 198.03158 136.1
[M+H-H2O]+ 142.06568 124.9
[M+HCOO]- 204.06662 154.3
[M+CH3COO]- 218.08227 145.2
[M+Na-2H]- 180.04309 137.1
[M]+ 159.06787 128.4
[M]- 159.06897 128.4
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

No patent data available for this compound.