CID 75845

Decyl betaine

Structural Information

Molecular Formula

C₁₄H₃₀NO₂

SMILES

CCCCCCCCCC[N+](C)(C)CC(=O)O

InChI

InChI=1S/C14H29NO2/c1-4-5-6-7-8-9-10-11-12-15(2,3)13-14(16)17/h4-13H2,1-3H3/p+1

InChIKey

NPKLJZUIYWRNMV-UHFFFAOYSA-O

Compound name

carboxymethyl-decyl-dimethylazanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2841
Patents: 244.22766 Da
Monoisotopic Mass: 4.4
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]+	245.23494	162.3
[M+Na]+	267.21688	165.9
[M-H]-	243.22038	161.7
[M+NH4]+	262.26148	179.7
[M+K]+	283.19082	159.0
[M+H-H2O]+	227.22492	159.6
[M+HCOO]-	289.22586	182.3
[M+CH3COO]-	303.24151	193.5
[M+Na-2H]-	265.20233	167.4
[M]+	244.22711	165.1
[M]-	244.22821	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe