CID 517894

3,5-dimethyldodecane

Structural Information

Molecular Formula
C14H30
SMILES
CCCCCCCC(C)CC(C)CC
InChI
InChI=1S/C14H30/c1-5-7-8-9-10-11-14(4)12-13(3)6-2/h13-14H,5-12H2,1-4H3
InChIKey
XZGJLSWBVWBSQT-UHFFFAOYSA-N
Compound name
3,5-dimethyldodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

198.23476 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.242036 156.4
[M+Na]+ 221.223978 159.9
[M-H]- 197.227484 155.5
[M+NH4]+ 216.268583 176.1
[M+K]+ 237.197918 158.6
[M+H-H2O]+ 181.232020 151.0
[M+HCOO]- 243.232961 175.6
[M+CH3COO]- 257.248611 193.3
[M+Na-2H]- 219.209426 156.7
[M]+ 198.23421142 159.5
[M]- 198.23530858 159.5
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