CID 3033855

(1-phenylethyl)xylene

Structural Information

Molecular Formula
C16H18
SMILES
CC1=C(C(=CC=C1)C(C)C2=CC=CC=C2)C
InChI
InChI=1S/C16H18/c1-12-8-7-11-16(13(12)2)14(3)15-9-5-4-6-10-15/h4-11,14H,1-3H3
InChIKey
GNPWYHFXSMINJQ-UHFFFAOYSA-N
Compound name
1,2-dimethyl-3-(1-phenylethyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

5508
Patents

210.14085 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.14813 149.2
[M+Na]+ 233.13007 165.3
[M+NH4]+ 228.17467 159.6
[M+K]+ 249.10401 156.2
[M-H]- 209.13357 155.3
[M+Na-2H]- 231.11552 159.8
[M]+ 210.14030 153.6
[M]- 210.14140 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