CID 11230

Terpinen-4-ol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

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

InChI

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

InChIKey

WRYLYDPHFGVWKC-UHFFFAOYSA-N

Compound name

4-methyl-1-propan-2-ylcyclohex-3-en-1-ol

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 345
References: 13175
Patents: 154.13577 Da
Monoisotopic Mass: 2.2
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]+	155.14305	135.1
[M+Na]+	177.12499	141.2
[M-H]-	153.12849	137.2
[M+NH4]+	172.16959	157.7
[M+K]+	193.09893	139.9
[M+H-H2O]+	137.13303	130.9
[M+HCOO]-	199.13397	154.2
[M+CH3COO]-	213.14962	176.0
[M+Na-2H]-	175.11044	139.5
[M]+	154.13522	132.1
[M]-	154.13632	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe