CID 124202094

Benzylalcohol alpha-isobutyl-2,4,6-trimethyl(1-mestyl-3-methyl-1-butanol)

Structural Information

Molecular Formula
C15H24
SMILES
CC1=CC(=C(C(=C1)C)C(C)CC(C)C)C
InChI
InChI=1S/C15H24/c1-10(2)7-12(4)15-13(5)8-11(3)9-14(15)6/h8-10,12H,7H2,1-6H3
InChIKey
IYHMGJWXHMMQEK-UHFFFAOYSA-N
Compound name
1,3,5-trimethyl-2-(4-methylpentan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1878 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 148.6
[M+Na]+ 227.17702 155.9
[M-H]- 203.18052 152.5
[M+NH4]+ 222.22162 168.7
[M+K]+ 243.15096 153.7
[M+H-H2O]+ 187.18506 143.2
[M+HCOO]- 249.18600 169.3
[M+CH3COO]- 263.20165 194.8
[M+Na-2H]- 225.16247 149.3
[M]+ 204.18725 150.7
[M]- 204.18835 150.7
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

No patent data available for this compound.