CID 22570

1,2-dimethyl-4-(1-phenylethyl)benzene

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

1
References

188
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 147.7
[M+Na]+ 233.13007 155.2
[M-H]- 209.13357 154.7
[M+NH4]+ 228.17467 166.8
[M+K]+ 249.10401 151.4
[M+H-H2O]+ 193.13811 140.9
[M+HCOO]- 255.13905 170.6
[M+CH3COO]- 269.15470 191.3
[M+Na-2H]- 231.11552 152.3
[M]+ 210.14030 147.7
[M]- 210.14140 147.7
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