CID 17100

Alpha-terpineol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

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

InChI

InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3

InChIKey

WUOACPNHFRMFPN-UHFFFAOYSA-N

Compound name

2-(4-methylcyclohex-3-en-1-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 484
References: 134324
Patents: 154.13577 Da
Monoisotopic Mass: 1.8
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	135.1
[M+Na]+	177.12499	141.1
[M-H]-	153.12849	137.1
[M+NH4]+	172.16959	155.9
[M+K]+	193.09893	139.5
[M+H-H2O]+	137.13303	130.6
[M+HCOO]-	199.13397	153.7
[M+CH3COO]-	213.14962	175.9
[M+Na-2H]-	175.11044	140.4
[M]+	154.13522	132.0
[M]-	154.13632	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe