CID 44585557

(3e)-3-[(phenylamino)methylidene]dihydrofuran-2(3h)-one

Structural Information

Molecular Formula
C11H11NO2
SMILES
C\1COC(=O)/C1=C/NC2=CC=CC=C2
InChI
InChI=1S/C11H11NO2/c13-11-9(6-7-14-11)8-12-10-4-2-1-3-5-10/h1-5,8,12H,6-7H2/b9-8+
InChIKey
BKXNPYSVWOVZGX-CMDGGOBGSA-N
Compound name
(3E)-3-(anilinomethylidene)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

189.07898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 139.2
[M+Na]+ 212.06820 145.7
[M-H]- 188.07170 146.3
[M+NH4]+ 207.11280 158.7
[M+K]+ 228.04214 143.8
[M+H-H2O]+ 172.07624 132.8
[M+HCOO]- 234.07718 163.5
[M+CH3COO]- 248.09283 181.2
[M+Na-2H]- 210.05365 145.0
[M]+ 189.07843 136.8
[M]- 189.07953 136.8
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