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

237
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 136.6
[M+Na]+ 182.05764 146.4
[M-H]- 158.06114 138.9
[M+NH4]+ 177.10224 154.9
[M+K]+ 198.03158 142.6
[M+H-H2O]+ 142.06568 124.9
[M+HCOO]- 204.06662 155.4
[M+CH3COO]- 218.08227 188.2
[M+Na-2H]- 180.04309 141.3
[M]+ 159.06787 130.4
[M]- 159.06897 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