CID 10374851

P-menth-1-ene-3,6-diol

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC1=C[C@@H]([C@H](C[C@@H]1O)C(C)C)O

InChI

InChI=1S/C10H18O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8-12H,5H2,1-3H3/t8-,9+,10+/m1/s1

InChIKey

CDEBGVXOFDWUAF-UTLUCORTSA-N

Compound name

(1S,4R,5R)-2-methyl-5-propan-2-ylcyclohex-2-ene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 170.13068 Da
Monoisotopic Mass: 1.0
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]+	171.137956	138.3
[M+Na]+	193.119898	144.9
[M-H]-	169.123404	139.4
[M+NH4]+	188.164503	158.1
[M+K]+	209.093838	143.0
[M+H-H2O]+	153.127940	133.8
[M+HCOO]-	215.128881	156.0
[M+CH3COO]-	229.144531	178.3
[M+Na-2H]-	191.105346	139.7
[M]+	170.13013142	135.4
[M]-	170.13122858	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.