CID 134814677

1-butanol, 4-cyclohexylidene-3-methyl-

Structural Information

Molecular Formula
C11H20O
SMILES
CC(CCO)C=C1CCCCC1
InChI
InChI=1S/C11H20O/c1-10(7-8-12)9-11-5-3-2-4-6-11/h9-10,12H,2-8H2,1H3
InChIKey
PLUVPUJEUHOMDC-UHFFFAOYSA-N
Compound name
4-cyclohexylidene-3-methylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

168.15141 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 142.1
[M+Na]+ 191.14063 145.2
[M-H]- 167.14413 142.9
[M+NH4]+ 186.18523 161.6
[M+K]+ 207.11457 143.0
[M+H-H2O]+ 151.14867 136.6
[M+HCOO]- 213.14961 159.5
[M+CH3COO]- 227.16526 177.2
[M+Na-2H]- 189.12608 144.4
[M]+ 168.15086 136.5
[M]- 168.15196 136.5
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.