CID 52146955

1-methyl-2-((2-methylphenoxy)methyl)benzene

Structural Information

Molecular Formula
C15H16O
SMILES
CC1=CC=CC=C1COC2=CC=CC=C2C
InChI
InChI=1S/C15H16O/c1-12-7-3-5-9-14(12)11-16-15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3
InChIKey
JOUVYHGZWQZGDK-UHFFFAOYSA-N
Compound name
1-methyl-2-[(2-methylphenoxy)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

212.12012 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.127396 146.9
[M+Na]+ 235.109338 155.0
[M-H]- 211.112844 153.9
[M+NH4]+ 230.153943 165.9
[M+K]+ 251.083278 151.5
[M+H-H2O]+ 195.117380 139.8
[M+HCOO]- 257.118321 171.3
[M+CH3COO]- 271.133971 189.4
[M+Na-2H]- 233.094786 153.1
[M]+ 212.11957142 148.6
[M]- 212.12066858 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe