CID 12858561

N-phenylbut-2-ynamide

Structural Information

Molecular Formula
C10H9NO
SMILES
CC#CC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C10H9NO/c1-2-6-10(12)11-9-7-4-3-5-8-9/h3-5,7-8H,1H3,(H,11,12)
InChIKey
DJPMQZYAASTXEP-UHFFFAOYSA-N
Compound name
N-phenylbut-2-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

159.06842 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 137.2
[M+Na]+ 182.05764 148.8
[M+NH4]+ 177.10224 142.0
[M+K]+ 198.03158 139.3
[M-H]- 158.06114 131.5
[M+Na-2H]- 180.04309 141.2
[M]+ 159.06787 136.3
[M]- 159.06897 136.3
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