CID 583845

1-(2,2-dimethylpropyl)-2,4,5-trimethylbenzene

Structural Information

Molecular Formula
C14H22
SMILES
CC1=CC(=C(C=C1C)CC(C)(C)C)C
InChI
InChI=1S/C14H22/c1-10-7-12(3)13(8-11(10)2)9-14(4,5)6/h7-8H,9H2,1-6H3
InChIKey
OQQKZMVCVVOBPG-UHFFFAOYSA-N
Compound name
1-(2,2-dimethylpropyl)-2,4,5-trimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.17215 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.17943 143.7
[M+Na]+ 213.16137 152.5
[M-H]- 189.16487 148.1
[M+NH4]+ 208.20597 164.8
[M+K]+ 229.13531 150.0
[M+H-H2O]+ 173.16941 139.0
[M+HCOO]- 235.17035 165.2
[M+CH3COO]- 249.18600 189.7
[M+Na-2H]- 211.14682 148.1
[M]+ 190.17160 146.2
[M]- 190.17270 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.