CID 69456

1,2,4,5-tetraisopropylbenzene

Structural Information

Molecular Formula
C18H30
SMILES
CC(C)C1=CC(=C(C=C1C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C18H30/c1-11(2)15-9-17(13(5)6)18(14(7)8)10-16(15)12(3)4/h9-14H,1-8H3
InChIKey
ROXLYQQDLJJEBE-UHFFFAOYSA-N
Compound name
1,2,4,5-tetra(propan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

246.23476 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.24204 161.5
[M+Na]+ 269.22398 167.0
[M-H]- 245.22748 165.0
[M+NH4]+ 264.26858 179.7
[M+K]+ 285.19792 165.0
[M+H-H2O]+ 229.23202 155.8
[M+HCOO]- 291.23296 179.1
[M+CH3COO]- 305.24861 205.6
[M+Na-2H]- 267.20943 158.2
[M]+ 246.23421 163.4
[M]- 246.23531 163.4
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