CID 2764532

1-[4-(prop-2-yn-1-yloxy)phenyl]ethan-1-one

Structural Information

Molecular Formula
C11H10O2
SMILES
CC(=O)C1=CC=C(C=C1)OCC#C
InChI
InChI=1S/C11H10O2/c1-3-8-13-11-6-4-10(5-7-11)9(2)12/h1,4-7H,8H2,2H3
InChIKey
VQORXUVLMTXOMV-UHFFFAOYSA-N
Compound name
1-(4-prop-2-ynoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

174.06808 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 137.2
[M+Na]+ 197.05730 147.5
[M-H]- 173.06080 139.5
[M+NH4]+ 192.10190 155.3
[M+K]+ 213.03124 143.9
[M+H-H2O]+ 157.06534 125.7
[M+HCOO]- 219.06628 155.1
[M+CH3COO]- 233.08193 189.0
[M+Na-2H]- 195.04275 141.6
[M]+ 174.06753 133.6
[M]- 174.06863 133.6
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