CID 273575

2-hydroxycyclododecanone

Structural Information

Molecular Formula

C₁₂H₂₂O₂

SMILES

C1CCCCCC(=O)C(CCCC1)O

InChI

InChI=1S/C12H22O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h11,13H,1-10H2

InChIKey

ILXGGSZKFJMVAQ-UHFFFAOYSA-N

Compound name

2-hydroxycyclododecan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 198.16199 Da
Monoisotopic Mass: 3.4
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]+	199.16927	145.9
[M+Na]+	221.15121	148.6
[M-H]-	197.15471	144.8
[M+NH4]+	216.19581	161.4
[M+K]+	237.12515	147.6
[M+H-H2O]+	181.15925	143.5
[M+HCOO]-	243.16019	161.6
[M+CH3COO]-	257.17584	175.4
[M+Na-2H]-	219.13666	146.9
[M]+	198.16144	135.0
[M]-	198.16254	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe