CID 122365

(alpha-methylbenzyl)anisole

Structural Information

Molecular Formula
C15H16O
SMILES
CC(C1=CC=CC=C1)C2=CC=CC=C2OC
InChI
InChI=1S/C15H16O/c1-12(13-8-4-3-5-9-13)14-10-6-7-11-15(14)16-2/h3-12H,1-2H3
InChIKey
PNIZXQAEXRQZJU-UHFFFAOYSA-N
Compound name
1-methoxy-2-(1-phenylethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

212.12012 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12740 147.6
[M+Na]+ 235.10934 154.5
[M-H]- 211.11284 154.3
[M+NH4]+ 230.15394 166.2
[M+K]+ 251.08328 151.4
[M+H-H2O]+ 195.11738 140.4
[M+HCOO]- 257.11832 170.9
[M+CH3COO]- 271.13397 189.1
[M+Na-2H]- 233.09479 153.3
[M]+ 212.11957 148.2
[M]- 212.12067 148.2
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