CID 11816002

2-propynamide, n-methyl-n-phenyl-

Structural Information

Molecular Formula
C10H9NO
SMILES
CN(C1=CC=CC=C1)C(=O)C#C
InChI
InChI=1S/C10H9NO/c1-3-10(12)11(2)9-7-5-4-6-8-9/h1,4-8H,2H3
InChIKey
KSFNDWMJJAZGEV-UHFFFAOYSA-N
Compound name
N-methyl-N-phenylprop-2-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.06842 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 136.8
[M+Na]+ 182.05764 145.9
[M-H]- 158.06114 140.0
[M+NH4]+ 177.10224 155.4
[M+K]+ 198.03158 143.2
[M+H-H2O]+ 142.06568 124.6
[M+HCOO]- 204.06662 156.0
[M+CH3COO]- 218.08227 190.4
[M+Na-2H]- 180.04309 141.5
[M]+ 159.06787 131.4
[M]- 159.06897 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.