CID 21832

N-heptylcyclohexane

Structural Information

Molecular Formula
C13H26
SMILES
CCCCCCCC1CCCCC1
InChI
InChI=1S/C13H26/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h13H,2-12H2,1H3
InChIKey
MSTLSCNJAHAQNU-UHFFFAOYSA-N
Compound name
heptylcyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1510
Patents

182.20345 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.21073 147.6
[M+Na]+ 205.19267 158.1
[M+NH4]+ 200.23727 157.1
[M+K]+ 221.16661 149.6
[M-H]- 181.19617 150.5
[M+Na-2H]- 203.17812 152.7
[M]+ 182.20290 149.9
[M]- 182.20400 149.9
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