CID 40997

Undecylcyclohexane

Structural Information

Molecular Formula
C17H34
SMILES
CCCCCCCCCCCC1CCCCC1
InChI
InChI=1S/C17H34/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h17H,2-16H2,1H3
InChIKey
XQQVOBPJWHQXEN-UHFFFAOYSA-N
Compound name
undecylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

238.26605 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.27333 165.5
[M+Na]+ 261.25527 175.2
[M+NH4]+ 256.29987 174.3
[M+K]+ 277.22921 165.6
[M-H]- 237.25877 168.2
[M+Na-2H]- 259.24072 169.4
[M]+ 238.26550 167.5
[M]- 238.26660 167.5
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

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