CID 303691

Ethyl 2-hydroxycyclohexanecarboxylate

Structural Information

Molecular Formula

C₉H₁₆O₃

SMILES

CCOC(=O)C1CCCCC1O

InChI

InChI=1S/C9H16O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7-8,10H,2-6H2,1H3

InChIKey

WOGRTPJVNNCUKN-UHFFFAOYSA-N

Compound name

ethyl 2-hydroxycyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 172.10994 Da
Monoisotopic Mass: 1.8
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]+	173.11722	138.1
[M+Na]+	195.09916	143.0
[M-H]-	171.10266	139.6
[M+NH4]+	190.14376	157.7
[M+K]+	211.07310	142.3
[M+H-H2O]+	155.10720	132.8
[M+HCOO]-	217.10814	156.7
[M+CH3COO]-	231.12379	176.3
[M+Na-2H]-	193.08461	141.0
[M]+	172.10939	135.2
[M]-	172.11049	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe