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

445
Patents

335.21304 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.22032 183.5
[M+Na]+ 358.20226 185.5
[M-H]- 334.20576 180.4
[M+NH4]+ 353.24686 196.5
[M+K]+ 374.17620 181.5
[M+H-H2O]+ 318.21030 176.5
[M+HCOO]- 380.21124 196.9
[M+CH3COO]- 394.22689 209.1
[M+Na-2H]- 356.18771 182.1
[M]+ 335.21249 190.1
[M]- 335.21359 190.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe