CID 10933553

144735-54-6

Structural Information

Molecular Formula
C16H14O2
SMILES
COC1=C(C=CC(=C1)C#C)OCC2=CC=CC=C2
InChI
InChI=1S/C16H14O2/c1-3-13-9-10-15(16(11-13)17-2)18-12-14-7-5-4-6-8-14/h1,4-11H,12H2,2H3
InChIKey
PLUHQGRVJMSIDW-UHFFFAOYSA-N
Compound name
4-ethynyl-2-methoxy-1-phenylmethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

238.09938 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.106656 155.5
[M+Na]+ 261.088598 166.2
[M-H]- 237.092104 160.0
[M+NH4]+ 256.133203 171.1
[M+K]+ 277.062538 160.0
[M+H-H2O]+ 221.096640 142.3
[M+HCOO]- 283.097581 173.8
[M+CH3COO]- 297.113231 199.6
[M+Na-2H]- 259.074046 159.8
[M]+ 238.09883142 152.4
[M]- 238.09992858 152.4
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