CID 139428

N-benzylacrylamide

Structural Information

Molecular Formula
C10H11NO
SMILES
C=CC(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C10H11NO/c1-2-10(12)11-8-9-6-4-3-5-7-9/h2-7H,1,8H2,(H,11,12)
InChIKey
OHLHOLGYGRKZMU-UHFFFAOYSA-N
Compound name
N-benzylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

5100
Patents

161.08406 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 135.3
[M+Na]+ 184.07328 147.1
[M+NH4]+ 179.11788 143.6
[M+K]+ 200.04722 140.2
[M-H]- 160.07678 137.7
[M+Na-2H]- 182.05873 142.4
[M]+ 161.08351 137.4
[M]- 161.08461 137.4
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