CID 6435635

N-allyl-alpha-methylcinnamamide

Structural Information

Molecular Formula
C13H15NO
SMILES
C/C(=C\C1=CC=CC=C1)/C(=O)NCC=C
InChI
InChI=1S/C13H15NO/c1-3-9-14-13(15)11(2)10-12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3,(H,14,15)/b11-10+
InChIKey
VRBLVQNFGWGBPY-ZHACJKMWSA-N
Compound name
(E)-2-methyl-3-phenyl-N-prop-2-enylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

201.11537 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.12265 147.2
[M+Na]+ 224.10459 152.5
[M-H]- 200.10809 150.2
[M+NH4]+ 219.14919 165.8
[M+K]+ 240.07853 149.2
[M+H-H2O]+ 184.11263 140.7
[M+HCOO]- 246.11357 170.3
[M+CH3COO]- 260.12922 188.0
[M+Na-2H]- 222.09004 151.0
[M]+ 201.11482 145.7
[M]- 201.11592 145.7
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