CID 85785

2,6,10-trimethyltetradecane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

160
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

literature stripe

Patent stripe

patents stripe