CID 14029718

Methyl 5-hydroxydecanoate

Structural Information

Molecular Formula

C₁₁H₂₂O₃

SMILES

CCCCCC(CCCC(=O)OC)O

InChI

InChI=1S/C11H22O3/c1-3-4-5-7-10(12)8-6-9-11(13)14-2/h10,12H,3-9H2,1-2H3

InChIKey

KJAPWGDDKZVZNV-UHFFFAOYSA-N

Compound name

methyl 5-hydroxydecanoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 16
Patents: 202.15689 Da
Monoisotopic Mass: 2.5
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]+	203.164166	151.1
[M+Na]+	225.146108	155.7
[M-H]-	201.149614	149.2
[M+NH4]+	220.190713	169.7
[M+K]+	241.120048	155.0
[M+H-H2O]+	185.154150	145.8
[M+HCOO]-	247.155091	170.7
[M+CH3COO]-	261.170741	185.6
[M+Na-2H]-	223.131556	152.5
[M]+	202.15634142	154.7
[M]-	202.15743858	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe