CID 22327

Tridecylcyclohexane

Structural Information

Molecular Formula
C19H38
SMILES
CCCCCCCCCCCCCC1CCCCC1
InChI
InChI=1S/C19H38/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h19H,2-18H2,1H3
InChIKey
DKRUJKKWJGNYQN-UHFFFAOYSA-N
Compound name
tridecylcyclohexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

245
Patents

266.29736 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.304636 175.1
[M+Na]+ 289.286578 175.0
[M-H]- 265.290084 175.5
[M+NH4]+ 284.331183 191.3
[M+K]+ 305.260518 171.3
[M+H-H2O]+ 249.294620 167.6
[M+HCOO]- 311.295561 191.8
[M+CH3COO]- 325.311211 202.9
[M+Na-2H]- 287.272026 174.7
[M]+ 266.29681142 174.2
[M]- 266.29790858 174.2
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