CID 93447

2,7,10-trimethyldodecane

Structural Information

Molecular Formula
C15H32
SMILES
CCC(C)CCC(C)CCCCC(C)C
InChI
InChI=1S/C15H32/c1-6-14(4)11-12-15(5)10-8-7-9-13(2)3/h13-15H,6-12H2,1-5H3
InChIKey
JCJGCZBSINPZAJ-UHFFFAOYSA-N
Compound name
2,7,10-trimethyldodecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

212.2504 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.257676 161.2
[M+Na]+ 235.239618 164.1
[M-H]- 211.243124 160.2
[M+NH4]+ 230.284223 180.2
[M+K]+ 251.213558 162.9
[M+H-H2O]+ 195.247660 155.7
[M+HCOO]- 257.248601 179.1
[M+CH3COO]- 271.264251 197.1
[M+Na-2H]- 233.225066 159.7
[M]+ 212.24985142 164.0
[M]- 212.25094858 164.0
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