CID 3810823

N-tetradecanoyltaurine(1-)

Structural Information

Molecular Formula

C₁₆H₃₃NO₄S

SMILES

CCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C16H33NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15-22(19,20)21/h2-15H2,1H3,(H,17,18)(H,19,20,21)

InChIKey

XPZFMHCHEWYIGE-UHFFFAOYSA-N

Compound name

2-(tetradecanoylamino)ethanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 436
Patents: 335.21304 Da
Monoisotopic Mass: 4.7
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]+	336.22032	184.2
[M+Na]+	358.20226	188.6
[M+NH4]+	353.24686	187.7
[M+K]+	374.17620	181.9
[M-H]-	334.20576	180.4
[M+Na-2H]-	356.18771	182.4
[M]+	335.21249	183.6
[M]-	335.21359	183.6

Literature stripe

literature stripe

Patent stripe

patents stripe