CID 46844738

N-(4-ethynylphenyl)-2-propenamide

Structural Information

Molecular Formula
C11H9NO
SMILES
C=CC(=O)NC1=CC=C(C=C1)C#C
InChI
InChI=1S/C11H9NO/c1-3-9-5-7-10(8-6-9)12-11(13)4-2/h1,4-8H,2H2,(H,12,13)
InChIKey
TYWHWZBTVJILQU-UHFFFAOYSA-N
Compound name
N-(4-ethynylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

171.06842 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.075696 140.5
[M+Na]+ 194.057638 150.2
[M-H]- 170.061144 142.7
[M+NH4]+ 189.102243 158.4
[M+K]+ 210.031578 145.6
[M+H-H2O]+ 154.065680 128.7
[M+HCOO]- 216.066621 159.2
[M+CH3COO]- 230.082271 190.1
[M+Na-2H]- 192.043086 144.7
[M]+ 171.06787142 134.1
[M]- 171.06896858 134.1
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