CID 85903

15760-18-6

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CC1=CCC(CC1)C(C)CCO

InChI

InChI=1S/C11H20O/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3,10-12H,4-8H2,1-2H3

InChIKey

JTVKFAPEIBMMHX-UHFFFAOYSA-N

Compound name

3-(4-methylcyclohex-3-en-1-yl)butan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 449
Patents: 168.15141 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	169.15869	140.0
[M+Na]+	191.14063	150.8
[M+NH4]+	186.18523	148.8
[M+K]+	207.11457	144.4
[M-H]-	167.14413	141.9
[M+Na-2H]-	189.12608	144.8
[M]+	168.15086	141.9
[M]-	168.15196	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe