CID 528472

2,6-dimethyl-2-dodecene

Structural Information

Molecular Formula
C14H28
SMILES
CCCCCCC(C)CCC=C(C)C
InChI
InChI=1S/C14H28/c1-5-6-7-8-11-14(4)12-9-10-13(2)3/h10,14H,5-9,11-12H2,1-4H3
InChIKey
RQILLHDCUHIGST-UHFFFAOYSA-N
Compound name
2,6-dimethyldodec-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

196.2191 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.22638 154.8
[M+Na]+ 219.20832 158.7
[M-H]- 195.21182 154.0
[M+NH4]+ 214.25292 174.5
[M+K]+ 235.18226 156.8
[M+H-H2O]+ 179.21636 149.5
[M+HCOO]- 241.21730 174.2
[M+CH3COO]- 255.23295 191.7
[M+Na-2H]- 217.19377 155.2
[M]+ 196.21855 157.1
[M]- 196.21965 157.1
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