CID 257950

17061-86-8

Structural Information

Molecular Formula
C10H10O2
SMILES
COC1=CC=C(C=C1)OCC#C
InChI
InChI=1S/C10H10O2/c1-3-8-12-10-6-4-9(11-2)5-7-10/h1,4-7H,8H2,2H3
InChIKey
YRHCGFRCOATEFD-UHFFFAOYSA-N
Compound name
1-methoxy-4-prop-2-ynoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

162.06808 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07536 132.1
[M+Na]+ 185.05730 142.8
[M-H]- 161.06080 134.6
[M+NH4]+ 180.10190 150.9
[M+K]+ 201.03124 139.6
[M+H-H2O]+ 145.06534 120.7
[M+HCOO]- 207.06628 151.2
[M+CH3COO]- 221.08193 186.4
[M+Na-2H]- 183.04275 138.3
[M]+ 162.06753 129.5
[M]- 162.06863 129.5
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