CID 2724741

113896-95-0

Structural Information

Molecular Formula
C11H11NO2
SMILES
C1C(=CC(=O)N1)OCC2=CC=CC=C2
InChI
InChI=1S/C11H11NO2/c13-11-6-10(7-12-11)14-8-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,12,13)
InChIKey
FIPLVTFTJOOADU-UHFFFAOYSA-N
Compound name
3-phenylmethoxy-1,2-dihydropyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

44
Patents

189.07898 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 139.3
[M+Na]+ 212.06820 146.8
[M-H]- 188.07170 143.3
[M+NH4]+ 207.11280 158.4
[M+K]+ 228.04214 143.5
[M+H-H2O]+ 172.07624 132.2
[M+HCOO]- 234.07718 161.9
[M+CH3COO]- 248.09283 177.6
[M+Na-2H]- 210.05365 144.3
[M]+ 189.07843 137.8
[M]- 189.07953 137.8
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