CID 221792

N-phenylacrylamide

Structural Information

Molecular Formula
C9H9NO
SMILES
C=CC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C9H9NO/c1-2-9(11)10-8-6-4-3-5-7-8/h2-7H,1H2,(H,10,11)
InChIKey
BPCNEKWROYSOLT-UHFFFAOYSA-N
Compound name
N-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

10876
Patents

147.06842 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 129.3
[M+Na]+ 170.05764 136.2
[M-H]- 146.06114 133.0
[M+NH4]+ 165.10224 150.2
[M+K]+ 186.03158 134.1
[M+H-H2O]+ 130.06568 123.5
[M+HCOO]- 192.06662 154.6
[M+CH3COO]- 206.08227 176.5
[M+Na-2H]- 168.04309 136.6
[M]+ 147.06787 127.7
[M]- 147.06897 127.7
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