CID 3022781

(5-methoxy-1-methylpentylidene)cyclohexane

Structural Information

Molecular Formula
C13H24O
SMILES
CC(=C1CCCCC1)CCCCOC
InChI
InChI=1S/C13H24O/c1-12(8-6-7-11-14-2)13-9-4-3-5-10-13/h3-11H2,1-2H3
InChIKey
XPBFRLBRISUWSP-UHFFFAOYSA-N
Compound name
6-methoxyhexan-2-ylidenecyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.18271 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 150.6
[M+Na]+ 219.171928 153.2
[M-H]- 195.175434 152.4
[M+NH4]+ 214.216533 169.7
[M+K]+ 235.145868 151.4
[M+H-H2O]+ 179.179970 144.4
[M+HCOO]- 241.180911 168.8
[M+CH3COO]- 255.196561 185.9
[M+Na-2H]- 217.157376 152.3
[M]+ 196.18216142 147.6
[M]- 196.18325858 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.