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

7
Patents

159.06842 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.075696 137.5
[M+Na]+ 182.057638 146.6
[M-H]- 158.061144 139.5
[M+NH4]+ 177.102243 155.6
[M+K]+ 198.031578 142.7
[M+H-H2O]+ 142.065680 125.6
[M+HCOO]- 204.066621 156.3
[M+CH3COO]- 218.082271 186.6
[M+Na-2H]- 180.043086 142.9
[M]+ 159.06787142 130.9
[M]- 159.06896858 130.9
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