CID 110662

5502-74-9

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC(C)(C1CCC(=CC1)CO)O

InChI

InChI=1S/C10H18O2/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3,9,11-12H,4-7H2,1-2H3

InChIKey

XYKGEKWHBMLSGS-UHFFFAOYSA-N

Compound name

2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 170.13068 Da
Monoisotopic Mass: 0.6
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	138.5
[M+Na]+	193.11990	148.5
[M+NH4]+	188.16450	146.5
[M+K]+	209.09384	143.7
[M-H]-	169.12340	138.9
[M+Na-2H]-	191.10535	142.9
[M]+	170.13013	139.9
[M]-	170.13123	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe