CID 81722

Delta-terpineol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

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

InChI

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

InChIKey

SQIFACVGCPWBQZ-UHFFFAOYSA-N

Compound name

2-(4-methylidenecyclohexyl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 75520
Patents: 154.13577 Da
Monoisotopic Mass: 1.9
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	140.8
[M-H]-	153.12849	137.3
[M+NH4]+	172.16959	156.2
[M+K]+	193.09893	138.8
[M+H-H2O]+	137.13303	131.2
[M+HCOO]-	199.13397	152.9
[M+CH3COO]-	213.14962	175.4
[M+Na-2H]-	175.11044	139.9
[M]+	154.13522	130.4
[M]-	154.13632	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe