CID 85675411

3,6,10-trimethyltetradecane

Structural Information

Molecular Formula
C17H36
SMILES
CCCCC(C)CCCC(C)CCC(C)CC
InChI
InChI=1S/C17H36/c1-6-8-10-16(4)11-9-12-17(5)14-13-15(3)7-2/h15-17H,6-14H2,1-5H3
InChIKey
UWNWTNBGIVBMAE-UHFFFAOYSA-N
Compound name
3,6,10-trimethyltetradecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.28171 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.288986 170.5
[M+Na]+ 263.270928 172.6
[M-H]- 239.274434 169.1
[M+NH4]+ 258.315533 188.4
[M+K]+ 279.244868 170.9
[M+H-H2O]+ 223.278970 164.6
[M+HCOO]- 285.279911 187.7
[M+CH3COO]- 299.295561 203.1
[M+Na-2H]- 261.256376 167.9
[M]+ 240.28116142 174.1
[M]- 240.28225858 174.1
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