CID 298667

7-hexyltridecane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

268.313 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.32028 178.9
[M+Na]+ 291.30222 180.5
[M-H]- 267.30572 176.8
[M+NH4]+ 286.34682 195.7
[M+K]+ 307.27616 177.3
[M+H-H2O]+ 251.31026 172.3
[M+HCOO]- 313.31120 197.3
[M+CH3COO]- 327.32685 207.4
[M+Na-2H]- 289.28767 177.7
[M]+ 268.31245 184.5
[M]- 268.31355 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