CID 107019

Einecs 267-971-2

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CC(CC1CC2CCC1C2)CO

InChI

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

InChIKey

WSDRMOFXYSCZJK-UHFFFAOYSA-N

Compound name

3-(2-bicyclo[2.2.1]heptanyl)-2-methylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 168.15141 Da
Monoisotopic Mass: 3.2
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	144.0
[M+Na]+	191.14063	149.2
[M-H]-	167.14413	144.9
[M+NH4]+	186.18523	168.9
[M+K]+	207.11457	147.0
[M+H-H2O]+	151.14867	139.8
[M+HCOO]-	213.14961	162.2
[M+CH3COO]-	227.16526	179.0
[M+Na-2H]-	189.12608	144.8
[M]+	168.15086	141.6
[M]-	168.15196	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe