CID 576897

(1,1-dimethylnonyl)benzene

Structural Information

Molecular Formula
C17H28
SMILES
CCCCCCCCC(C)(C)C1=CC=CC=C1
InChI
InChI=1S/C17H28/c1-4-5-6-7-8-12-15-17(2,3)16-13-10-9-11-14-16/h9-11,13-14H,4-8,12,15H2,1-3H3
InChIKey
QECYGFODULXACU-UHFFFAOYSA-N
Compound name
2-methyldecan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

232.2191 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.226376 160.8
[M+Na]+ 255.208318 165.3
[M-H]- 231.211824 163.2
[M+NH4]+ 250.252923 179.0
[M+K]+ 271.182258 161.8
[M+H-H2O]+ 215.216360 154.4
[M+HCOO]- 277.217301 181.1
[M+CH3COO]- 291.232951 196.1
[M+Na-2H]- 253.193766 165.3
[M]+ 232.21855142 163.2
[M]- 232.21964858 163.2
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