CID 13919076

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

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC1=CC(C(CC1O)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

InChIKey

CDEBGVXOFDWUAF-UHFFFAOYSA-N

Compound name

2-methyl-5-propan-2-ylcyclohex-2-ene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

2
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]+	171.13796	138.3
[M+Na]+	193.11990	144.9
[M-H]-	169.12340	139.4
[M+NH4]+	188.16450	158.1
[M+K]+	209.09384	143.0
[M+H-H2O]+	153.12794	133.8
[M+HCOO]-	215.12888	156.0
[M+CH3COO]-	229.14453	178.3
[M+Na-2H]-	191.10535	139.7
[M]+	170.13013	135.4
[M]-	170.13123	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe