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]+ 241.28899 170.5
[M+Na]+ 263.27093 172.6
[M-H]- 239.27443 169.1
[M+NH4]+ 258.31553 188.4
[M+K]+ 279.24487 170.9
[M+H-H2O]+ 223.27897 164.6
[M+HCOO]- 285.27991 187.7
[M+CH3COO]- 299.29556 203.1
[M+Na-2H]- 261.25638 167.9
[M]+ 240.28116 174.1
[M]- 240.28226 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