CID 15141

Benzene, 2,4-dimethyl-1-(1-methylpropyl)-

Structural Information

Molecular Formula
C12H18
SMILES
CCC(C)C1=C(C=C(C=C1)C)C
InChI
InChI=1S/C12H18/c1-5-10(3)12-7-6-9(2)8-11(12)4/h6-8,10H,5H2,1-4H3
InChIKey
KAXODKSCABORIG-UHFFFAOYSA-N
Compound name
1-butan-2-yl-2,4-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

162.14085 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.148126 135.9
[M+Na]+ 185.130068 143.7
[M-H]- 161.133574 139.9
[M+NH4]+ 180.174673 157.4
[M+K]+ 201.104008 141.8
[M+H-H2O]+ 145.138110 130.7
[M+HCOO]- 207.139051 158.5
[M+CH3COO]- 221.154701 183.7
[M+Na-2H]- 183.115516 140.1
[M]+ 162.14030142 137.1
[M]- 162.14139858 137.1
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