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

13
Patents

171.06842 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07570 140.5
[M+Na]+ 194.05764 150.2
[M-H]- 170.06114 142.7
[M+NH4]+ 189.10224 158.4
[M+K]+ 210.03158 145.6
[M+H-H2O]+ 154.06568 128.7
[M+HCOO]- 216.06662 159.2
[M+CH3COO]- 230.08227 190.1
[M+Na-2H]- 192.04309 144.7
[M]+ 171.06787 134.1
[M]- 171.06897 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