CID 545603

2,6-dimethylheptadecane

Structural Information

Molecular Formula
C19H40
SMILES
CCCCCCCCCCCC(C)CCCC(C)C
InChI
InChI=1S/C19H40/c1-5-6-7-8-9-10-11-12-13-16-19(4)17-14-15-18(2)3/h18-19H,5-17H2,1-4H3
InChIKey
RHDKKTYWDZUSCS-UHFFFAOYSA-N
Compound name
2,6-dimethylheptadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

86
Patents

268.313 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.320276 179.5
[M+Na]+ 291.302218 180.9
[M-H]- 267.305724 177.6
[M+NH4]+ 286.346823 196.3
[M+K]+ 307.276158 178.2
[M+H-H2O]+ 251.310260 173.0
[M+HCOO]- 313.311201 197.0
[M+CH3COO]- 327.326851 208.2
[M+Na-2H]- 289.287666 177.0
[M]+ 268.31245142 184.4
[M]- 268.31354858 184.4
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