CID 12527663

N-methyl-n-(1-phenylethenyl)acetamide

Structural Information

Molecular Formula
C11H13NO
SMILES
CC(=O)N(C)C(=C)C1=CC=CC=C1
InChI
InChI=1S/C11H13NO/c1-9(12(3)10(2)13)11-7-5-4-6-8-11/h4-8H,1H2,2-3H3
InChIKey
NWBXUOIHMZKAMH-UHFFFAOYSA-N
Compound name
N-methyl-N-(1-phenylethenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

175.09972 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 138.4
[M+Na]+ 198.08894 144.4
[M-H]- 174.09244 143.3
[M+NH4]+ 193.13354 158.8
[M+K]+ 214.06288 143.7
[M+H-H2O]+ 158.09698 132.1
[M+HCOO]- 220.09792 162.5
[M+CH3COO]- 234.11357 187.0
[M+Na-2H]- 196.07439 142.7
[M]+ 175.09917 138.3
[M]- 175.10027 138.3
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