CID 77237

11-hydroxyundecanoic acid

Structural Information

Molecular Formula

C₁₁H₂₂O₃

SMILES

C(CCCCCO)CCCCC(=O)O

InChI

InChI=1S/C11H22O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h12H,1-10H2,(H,13,14)

InChIKey

KNRCBASNXNXUQQ-UHFFFAOYSA-N

Compound name

11-hydroxyundecanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 1111
Patents: 202.15689 Da
Monoisotopic Mass: 3.0
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]+	203.16417	151.1
[M+Na]+	225.14611	155.3
[M-H]-	201.14961	147.6
[M+NH4]+	220.19071	168.8
[M+K]+	241.12005	153.2
[M+H-H2O]+	185.15415	145.8
[M+HCOO]-	247.15509	170.1
[M+CH3COO]-	261.17074	182.8
[M+Na-2H]-	223.13156	153.1
[M]+	202.15634	153.4
[M]-	202.15744	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe