CID 107330

Hydronopol

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CC1(C2CCC(C1C2)CCO)C

InChI

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

InChIKey

RCRVMCSPZAMFKV-UHFFFAOYSA-N

Compound name

2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 83
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	150.2
[M+Na]+	191.14063	155.2
[M-H]-	167.14413	148.2
[M+NH4]+	186.18523	170.1
[M+K]+	207.11457	155.5
[M+H-H2O]+	151.14867	142.5
[M+HCOO]-	213.14961	161.8
[M+CH3COO]-	227.16526	187.2
[M+Na-2H]-	189.12608	158.4
[M]+	168.15086	160.6
[M]-	168.15196	160.6

Literature stripe

literature stripe

Patent stripe

patents stripe