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

19
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

literature stripe

Patent stripe

patents stripe