CID 6438793

(e)-3-(2-methylphenyl)prop-2-enamide

Structural Information

Molecular Formula
C10H11NO
SMILES
CC1=CC=CC=C1/C=C/C(=O)N
InChI
InChI=1S/C10H11NO/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-7H,1H3,(H2,11,12)/b7-6+
InChIKey
GLJWZMYXVRYLPB-VOTSOKGWSA-N
Compound name
(E)-3-(2-methylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

161.08406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.091336 134.0
[M+Na]+ 184.073278 141.5
[M-H]- 160.076784 137.4
[M+NH4]+ 179.117883 154.4
[M+K]+ 200.047218 138.8
[M+H-H2O]+ 144.081320 128.3
[M+HCOO]- 206.082261 158.3
[M+CH3COO]- 220.097911 180.0
[M+Na-2H]- 182.058726 139.0
[M]+ 161.08351142 132.2
[M]- 161.08460858 132.2
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