CID 56936167

3,13-dimethylhexadecane

Structural Information

Molecular Formula
C18H38
SMILES
CCCC(C)CCCCCCCCCC(C)CC
InChI
InChI=1S/C18H38/c1-5-14-18(4)16-13-11-9-7-8-10-12-15-17(3)6-2/h17-18H,5-16H2,1-4H3
InChIKey
XDFBSNGOKYBOTG-UHFFFAOYSA-N
Compound name
3,13-dimethylhexadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

254.29735 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.304626 174.9
[M+Na]+ 277.286568 176.8
[M-H]- 253.290074 173.2
[M+NH4]+ 272.331173 192.3
[M+K]+ 293.260508 174.3
[M+H-H2O]+ 237.294610 168.6
[M+HCOO]- 299.295551 192.7
[M+CH3COO]- 313.311201 205.2
[M+Na-2H]- 275.272016 173.0
[M]+ 254.29680142 179.5
[M]- 254.29789858 179.5
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