CID 6651

Terpin

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CC1(CCC(CC1)C(C)(C)O)O

InChI

InChI=1S/C10H20O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8,11-12H,4-7H2,1-3H3

InChIKey

RBNWAMSGVWEHFP-UHFFFAOYSA-N

Compound name

4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 52
References: 17649
Patents: 172.14633 Da
Monoisotopic Mass: 1.2
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]+	173.15361	140.6
[M+Na]+	195.13555	145.9
[M-H]-	171.13905	141.1
[M+NH4]+	190.18015	161.8
[M+K]+	211.10949	144.4
[M+H-H2O]+	155.14359	137.1
[M+HCOO]-	217.14453	156.3
[M+CH3COO]-	231.16018	175.3
[M+Na-2H]-	193.12100	145.6
[M]+	172.14578	136.0
[M]-	172.14688	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe