CID 85998

16423-26-0

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CC1(C2CCC(C2)C1CCO)C

InChI

InChI=1S/C11H20O/c1-11(2)9-4-3-8(7-9)10(11)5-6-12/h8-10,12H,3-7H2,1-2H3

InChIKey

DUINBOMGEZFPDK-UHFFFAOYSA-N

Compound name

2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 10
Patents: 168.15141 Da
Monoisotopic Mass: 3.0
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	141.6
[M+Na]+	191.14063	149.2
[M-H]-	167.14413	143.2
[M+NH4]+	186.18523	169.1
[M+K]+	207.11457	146.3
[M+H-H2O]+	151.14867	138.6
[M+HCOO]-	213.14961	160.9
[M+CH3COO]-	227.16526	178.8
[M+Na-2H]-	189.12608	144.4
[M]+	168.15086	140.7
[M]-	168.15196	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe