CID 300085

Trans-p-menth-2-ene-1,4-diol

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC(C)C1(CCC(C=C1)(C)O)O

InChI

InChI=1S/C10H18O2/c1-8(2)10(12)6-4-9(3,11)5-7-10/h4,6,8,11-12H,5,7H2,1-3H3

InChIKey

WHOYVNZMAORLBI-UHFFFAOYSA-N

Compound name

1-methyl-4-propan-2-ylcyclohex-2-ene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 170.13068 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]+	171.13796	138.1
[M+Na]+	193.11990	144.8
[M-H]-	169.12340	139.3
[M+NH4]+	188.16450	161.4
[M+K]+	209.09384	143.4
[M+H-H2O]+	153.12794	135.1
[M+HCOO]-	215.12888	155.9
[M+CH3COO]-	229.14453	175.2
[M+Na-2H]-	191.10535	143.4
[M]+	170.13013	135.2
[M]-	170.13123	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe