CID 11412536

N-(4-ethynylphenyl)acetamide

Structural Information

Molecular Formula
C10H9NO
SMILES
CC(=O)NC1=CC=C(C=C1)C#C
InChI
InChI=1S/C10H9NO/c1-3-9-4-6-10(7-5-9)11-8(2)12/h1,4-7H,2H3,(H,11,12)
InChIKey
HZEDCCWIEHFCPL-UHFFFAOYSA-N
Compound name
N-(4-ethynylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

229
Patents

159.06842 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.075696 136.6
[M+Na]+ 182.057638 146.4
[M-H]- 158.061144 138.9
[M+NH4]+ 177.102243 154.9
[M+K]+ 198.031578 142.6
[M+H-H2O]+ 142.065680 124.9
[M+HCOO]- 204.066621 155.4
[M+CH3COO]- 218.082271 188.2
[M+Na-2H]- 180.043086 141.3
[M]+ 159.06787142 130.4
[M]- 159.06896858 130.4
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

patents stripe