CID 8748

Beta-terpineol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC(=C)C1CCC(CC1)(C)O

InChI

InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3

InChIKey

RUJPNZNXGCHGID-UHFFFAOYSA-N

Compound name

1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 9970
Patents: 154.13577 Da
Monoisotopic Mass: 2.5
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]+	155.14305	135.6
[M+Na]+	177.12499	141.0
[M-H]-	153.12849	137.4
[M+NH4]+	172.16959	158.1
[M+K]+	193.09893	139.3
[M+H-H2O]+	137.13303	131.6
[M+HCOO]-	199.13397	153.4
[M+CH3COO]-	213.14962	175.5
[M+Na-2H]-	175.11044	139.1
[M]+	154.13522	130.5
[M]-	154.13632	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe