CID 12135

3-phenylprop-2-enamide

Structural Information

Molecular Formula
C9H9NO
SMILES
C1=CC=C(C=C1)C=CC(=O)N
InChI
InChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)
InChIKey
APEJMQOBVMLION-UHFFFAOYSA-N
Compound name
3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

125
References

13244
Patents

147.06842 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 129.9
[M+Na]+ 170.05764 136.9
[M-H]- 146.06114 133.0
[M+NH4]+ 165.10224 150.5
[M+K]+ 186.03158 134.3
[M+H-H2O]+ 130.06568 124.1
[M+HCOO]- 192.06662 154.5
[M+CH3COO]- 206.08227 175.8
[M+Na-2H]- 168.04309 136.1
[M]+ 147.06787 127.3
[M]- 147.06897 127.3
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