CID 14642595

5,5-bis(3,3-dimethylbutyl)-2,2,8,8-tetramethylnonane

Structural Information

Molecular Formula
C25H52
SMILES
CC(C)(C)CCC(CCC(C)(C)C)(CCC(C)(C)C)CCC(C)(C)C
InChI
InChI=1S/C25H52/c1-21(2,3)13-17-25(18-14-22(4,5)6,19-15-23(7,8)9)20-16-24(10,11)12/h13-20H2,1-12H3
InChIKey
DRLWCOCRWBVOMV-UHFFFAOYSA-N
Compound name
5,5-bis(3,3-dimethylbutyl)-2,2,8,8-tetramethylnonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

352.4069 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.414176 196.3
[M+Na]+ 375.396118 198.4
[M-H]- 351.399624 195.3
[M+NH4]+ 370.440723 204.2
[M+K]+ 391.370058 196.1
[M+H-H2O]+ 335.404160 192.3
[M+HCOO]- 397.405101 206.4
[M+CH3COO]- 411.420751 224.4
[M+Na-2H]- 373.381566 198.9
[M]+ 352.40635142 202.1
[M]- 352.40744858 202.1
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

patents stripe