CID 18783375

96857-25-9

Structural Information

Molecular Formula
C12H18
SMILES
CC1=C(C(=C(C=C1)C(C)C)C)C
InChI
InChI=1S/C12H18/c1-8(2)12-7-6-9(3)10(4)11(12)5/h6-8H,1-5H3
InChIKey
QHOPYXBAXVDHDW-UHFFFAOYSA-N
Compound name
1,2,3-trimethyl-4-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1589
Patents

162.14085 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.148126 134.6
[M+Na]+ 185.130068 143.5
[M-H]- 161.133574 139.1
[M+NH4]+ 180.174673 156.5
[M+K]+ 201.104008 141.6
[M+H-H2O]+ 145.138110 129.8
[M+HCOO]- 207.139051 157.3
[M+CH3COO]- 221.154701 184.8
[M+Na-2H]- 183.115516 138.3
[M]+ 162.14030142 136.3
[M]- 162.14139858 136.3
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