CID 28468

3,7-dimethyldecane

Structural Information

Molecular Formula
C12H26
SMILES
CCCC(C)CCCC(C)CC
InChI
InChI=1S/C12H26/c1-5-8-12(4)10-7-9-11(3)6-2/h11-12H,5-10H2,1-4H3
InChIKey
VDAVEASVPZDNQB-UHFFFAOYSA-N
Compound name
3,7-dimethyldecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

740
Patents

170.20345 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.210726 147.1
[M+Na]+ 193.192668 151.4
[M-H]- 169.196174 146.6
[M+NH4]+ 188.237273 167.9
[M+K]+ 209.166608 150.6
[M+H-H2O]+ 153.200710 142.0
[M+HCOO]- 215.201651 166.9
[M+CH3COO]- 229.217301 187.3
[M+Na-2H]- 191.178116 148.5
[M]+ 170.20290142 149.4
[M]- 170.20399858 149.4
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