CID 45054

N-ethyl-2-prop-2-enoxybenzamide

Structural Information

Molecular Formula
C12H15NO2
SMILES
CCNC(=O)C1=CC=CC=C1OCC=C
InChI
InChI=1S/C12H15NO2/c1-3-9-15-11-8-6-5-7-10(11)12(14)13-4-2/h3,5-8H,1,4,9H2,2H3,(H,13,14)
InChIKey
JAOYNCHGTPCSOJ-UHFFFAOYSA-N
Compound name
N-ethyl-2-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 145.9
[M+Na]+ 228.09950 152.4
[M-H]- 204.10300 149.3
[M+NH4]+ 223.14410 164.7
[M+K]+ 244.07344 150.0
[M+H-H2O]+ 188.10754 139.4
[M+HCOO]- 250.10848 170.4
[M+CH3COO]- 264.12413 188.8
[M+Na-2H]- 226.08495 150.8
[M]+ 205.10973 147.3
[M]- 205.11083 147.3
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

patents stripe