CID 576716

Benzene, (1,1-dimethyldecyl)-

Structural Information

Molecular Formula
C18H30
SMILES
CCCCCCCCCC(C)(C)C1=CC=CC=C1
InChI
InChI=1S/C18H30/c1-4-5-6-7-8-9-13-16-18(2,3)17-14-11-10-12-15-17/h10-12,14-15H,4-9,13,16H2,1-3H3
InChIKey
FZUMQFUHECRZDF-UHFFFAOYSA-N
Compound name
2-methylundecan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

246.23476 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.242036 165.4
[M+Na]+ 269.223978 169.5
[M-H]- 245.227484 167.6
[M+NH4]+ 264.268583 183.0
[M+K]+ 285.197918 165.8
[M+H-H2O]+ 229.232020 158.8
[M+HCOO]- 291.232961 185.4
[M+CH3COO]- 305.248611 199.1
[M+Na-2H]- 267.209426 169.4
[M]+ 246.23421142 168.2
[M]- 246.23530858 168.2
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