CID 150961

11-hydroxymyristate

Structural Information

Molecular Formula

C₁₄H₂₈O₃

SMILES

CCCC(CCCCCCCCCC(=O)O)O

InChI

InChI=1S/C14H28O3/c1-2-10-13(15)11-8-6-4-3-5-7-9-12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)

InChIKey

DMCZWEUMVOFXBT-UHFFFAOYSA-N

Compound name

11-hydroxytetradecanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 77
Patents: 244.20384 Da
Monoisotopic Mass: 4.1
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]+	245.211116	165.3
[M+Na]+	267.193058	168.1
[M-H]-	243.196564	161.3
[M+NH4]+	262.237663	181.3
[M+K]+	283.166998	165.7
[M+H-H2O]+	227.201100	159.5
[M+HCOO]-	289.202041	182.3
[M+CH3COO]-	303.217691	192.7
[M+Na-2H]-	265.178506	164.4
[M]+	244.20329142	168.1
[M]-	244.20438858	168.1

Literature stripe

literature stripe

Patent stripe

patents stripe