CID 44426089

Chembl388484

Structural Information

Molecular Formula
C11H13NO
SMILES
CC1=CC=CC=C1/C=C/NC(=O)C
InChI
InChI=1S/C11H13NO/c1-9-5-3-4-6-11(9)7-8-12-10(2)13/h3-8H,1-2H3,(H,12,13)/b8-7+
InChIKey
ZPDGZPSFNATSCE-BQYQJAHWSA-N
Compound name
N-[(E)-2-(2-methylphenyl)ethenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

175.09972 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 138.2
[M+Na]+ 198.08894 145.4
[M-H]- 174.09244 142.0
[M+NH4]+ 193.13354 158.5
[M+K]+ 214.06288 142.8
[M+H-H2O]+ 158.09698 132.3
[M+HCOO]- 220.09792 162.9
[M+CH3COO]- 234.11357 183.1
[M+Na-2H]- 196.07439 143.8
[M]+ 175.09917 137.8
[M]- 175.10027 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.