CID 24701030

3-cyano-n-(prop-2-en-1-yl)benzamide

Structural Information

Molecular Formula
C11H10N2O
SMILES
C=CCNC(=O)C1=CC=CC(=C1)C#N
InChI
InChI=1S/C11H10N2O/c1-2-6-13-11(14)10-5-3-4-9(7-10)8-12/h2-5,7H,1,6H2,(H,13,14)
InChIKey
OFXAULPDTNEWIZ-UHFFFAOYSA-N
Compound name
3-cyano-N-prop-2-enylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.07932 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08660 144.2
[M+Na]+ 209.06854 153.2
[M-H]- 185.07204 147.3
[M+NH4]+ 204.11314 161.6
[M+K]+ 225.04248 149.6
[M+H-H2O]+ 169.07658 131.5
[M+HCOO]- 231.07752 164.9
[M+CH3COO]- 245.09317 196.9
[M+Na-2H]- 207.05399 148.9
[M]+ 186.07877 138.5
[M]- 186.07987 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.