CID 16661980

Chembl211532

Structural Information

Molecular Formula

C₁₃H₂₉NO

SMILES

CCCCCCCCCC(CN(C)C)O

InChI

InChI=1S/C13H29NO/c1-4-5-6-7-8-9-10-11-13(15)12-14(2)3/h13,15H,4-12H2,1-3H3

InChIKey

RSLADXAQJZMDML-UHFFFAOYSA-N

Compound name

1-(dimethylamino)undecan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 215.22491 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]+	216.23219	159.7
[M+Na]+	238.21413	162.6
[M-H]-	214.21763	158.7
[M+NH4]+	233.25873	178.1
[M+K]+	254.18807	161.9
[M+H-H2O]+	198.22217	153.5
[M+HCOO]-	260.22311	180.4
[M+CH3COO]-	274.23876	196.8
[M+Na-2H]-	236.19958	160.5
[M]+	215.22436	162.9
[M]-	215.22546	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe