CID 87013

Einecs 241-273-8

Structural Information

Molecular Formula
C15H16O2
SMILES
CC1=CC=C(C=C1)OCOC2=CC=C(C=C2)C
InChI
InChI=1S/C15H16O2/c1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3
InChIKey
XBBWCUBZMGGWFC-UHFFFAOYSA-N
Compound name
1-methyl-4-[(4-methylphenoxy)methoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

228.11504 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.12232 150.5
[M+Na]+ 251.10426 158.5
[M-H]- 227.10776 157.5
[M+NH4]+ 246.14886 168.7
[M+K]+ 267.07820 155.6
[M+H-H2O]+ 211.11230 143.1
[M+HCOO]- 273.11324 175.1
[M+CH3COO]- 287.12889 191.4
[M+Na-2H]- 249.08971 156.7
[M]+ 228.11449 153.6
[M]- 228.11559 153.6
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