CID 285483

4-ethenylbenzamide

Structural Information

Molecular Formula
C9H9NO
SMILES
C=CC1=CC=C(C=C1)C(=O)N
InChI
InChI=1S/C9H9NO/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2,(H2,10,11)
InChIKey
YFCIQZMEGLCRKA-UHFFFAOYSA-N
Compound name
4-ethenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

253
Patents

147.06842 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 129.1
[M+Na]+ 170.05764 137.0
[M-H]- 146.06114 132.6
[M+NH4]+ 165.10224 150.0
[M+K]+ 186.03158 134.4
[M+H-H2O]+ 130.06568 123.6
[M+HCOO]- 192.06662 153.7
[M+CH3COO]- 206.08227 177.6
[M+Na-2H]- 168.04309 134.7
[M]+ 147.06787 127.0
[M]- 147.06897 127.0
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