CID 348428

7495-46-7

Structural Information

Molecular Formula
C16H18
SMILES
CC1=C(C(=CC=C1)C2=CC=CC(=C2C)C)C
InChI
InChI=1S/C16H18/c1-11-7-5-9-15(13(11)3)16-10-6-8-12(2)14(16)4/h5-10H,1-4H3
InChIKey
NGDMCVXWKKYGRQ-UHFFFAOYSA-N
Compound name
1-(2,3-dimethylphenyl)-2,3-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1141
Patents

210.14085 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.148126 146.3
[M+Na]+ 233.130068 156.0
[M-H]- 209.133574 154.0
[M+NH4]+ 228.174673 166.1
[M+K]+ 249.104008 151.8
[M+H-H2O]+ 193.138110 139.8
[M+HCOO]- 255.139051 170.1
[M+CH3COO]- 269.154701 192.7
[M+Na-2H]- 231.115516 150.7
[M]+ 210.14030142 147.7
[M]- 210.14139858 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