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 137.5
[M+Na]+ 182.05764 146.6
[M-H]- 158.06114 139.5
[M+NH4]+ 177.10224 155.6
[M+K]+ 198.03158 142.7
[M+H-H2O]+ 142.06568 125.6
[M+HCOO]- 204.06662 156.3
[M+CH3COO]- 218.08227 186.6
[M+Na-2H]- 180.04309 142.9
[M]+ 159.06787 130.9
[M]- 159.06897 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