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]+ 187.086596 144.2
[M+Na]+ 209.068538 153.2
[M-H]- 185.072044 147.3
[M+NH4]+ 204.113143 161.6
[M+K]+ 225.042478 149.6
[M+H-H2O]+ 169.076580 131.5
[M+HCOO]- 231.077521 164.9
[M+CH3COO]- 245.093171 196.9
[M+Na-2H]- 207.053986 148.9
[M]+ 186.07877142 138.5
[M]- 186.07986858 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.