CID 5715220

91132-71-7

Structural Information

Molecular Formula
C11H13NO2
SMILES
C/C=C/COC1=CC=CC=C1C(=O)N
InChI
InChI=1S/C11H13NO2/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h2-7H,8H2,1H3,(H2,12,13)/b3-2+
InChIKey
QJGOBHIVDQBUFT-NSCUHMNNSA-N
Compound name
2-[(E)-but-2-enoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 141.9
[M+Na]+ 214.083858 148.8
[M-H]- 190.087364 145.0
[M+NH4]+ 209.128463 161.0
[M+K]+ 230.057798 146.3
[M+H-H2O]+ 174.091900 135.6
[M+HCOO]- 236.092841 166.0
[M+CH3COO]- 250.108491 185.1
[M+Na-2H]- 212.069306 146.3
[M]+ 191.09409142 141.9
[M]- 191.09518858 141.9
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.