CID 441246

(1s,2s,4r)-limonene-1,2-diol

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC(=C)[C@@H]1CC[C@]([C@H](C1)O)(C)O

InChI

InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1

InChIKey

WKZWTZTZWGWEGE-UTLUCORTSA-N

Compound name

(1S,2S,4R)-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 5
References: 266
Patents: 170.13068 Da
Monoisotopic Mass: 1.5
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	138.7
[M+Na]+	193.119898	144.6
[M-H]-	169.123404	139.4
[M+NH4]+	188.164503	160.0
[M+K]+	209.093838	142.5
[M+H-H2O]+	153.127940	135.1
[M+HCOO]-	215.128881	155.1
[M+CH3COO]-	229.144531	176.1
[M+Na-2H]-	191.105346	141.1
[M]+	170.13013142	133.5
[M]-	170.13122858	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe