CID 29777

Heptadecylcyclohexane

Structural Information

Molecular Formula
C23H46
SMILES
CCCCCCCCCCCCCCCCCC1CCCCC1
InChI
InChI=1S/C23H46/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h23H,2-22H2,1H3
InChIKey
VLHZQNGNJQYAIZ-UHFFFAOYSA-N
Compound name
heptadecylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

322.35995 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.36723 192.7
[M+Na]+ 345.34917 190.9
[M-H]- 321.35267 192.3
[M+NH4]+ 340.39377 206.6
[M+K]+ 361.32311 186.2
[M+H-H2O]+ 305.35721 184.4
[M+HCOO]- 367.35815 208.1
[M+CH3COO]- 381.37380 214.8
[M+Na-2H]- 343.33462 190.2
[M]+ 322.35940 193.3
[M]- 322.36050 193.3
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