CID 24704847

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

Structural Information

Molecular Formula
C11H8N2O
SMILES
C#CCNC(=O)C1=CC=CC(=C1)C#N
InChI
InChI=1S/C11H8N2O/c1-2-6-13-11(14)10-5-3-4-9(7-10)8-12/h1,3-5,7H,6H2,(H,13,14)
InChIKey
YSJFRQSACYZLRX-UHFFFAOYSA-N
Compound name
3-cyano-N-prop-2-ynylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

184.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07094 167.8
[M+Na]+ 207.05288 176.3
[M+NH4]+ 202.09748 168.3
[M+K]+ 223.02682 165.7
[M-H]- 183.05638 157.6
[M+Na-2H]- 205.03833 167.0
[M]+ 184.06311 164.8
[M]- 184.06421 164.8
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

patents stripe