CID 93065

Octadecane, 6-methyl-

Structural Information

Molecular Formula
C19H40
SMILES
CCCCCCCCCCCCC(C)CCCCC
InChI
InChI=1S/C19H40/c1-4-6-8-9-10-11-12-13-14-16-18-19(3)17-15-7-5-2/h19H,4-18H2,1-3H3
InChIKey
MMQAZWNADBJFCD-UHFFFAOYSA-N
Compound name
6-methyloctadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

268.313 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.320276 178.9
[M+Na]+ 291.302218 180.5
[M-H]- 267.305724 176.8
[M+NH4]+ 286.346823 195.7
[M+K]+ 307.276158 177.3
[M+H-H2O]+ 251.310260 172.3
[M+HCOO]- 313.311201 197.3
[M+CH3COO]- 327.326851 207.4
[M+Na-2H]- 289.287666 177.7
[M]+ 268.31245142 184.5
[M]- 268.31354858 184.5
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