CID 3084672

Sodium myristoyl isethionate

Structural Information

Molecular Formula
C16H32O5S
SMILES
CCCCCCCCCCCCCC(=O)OCCS(=O)(=O)O
InChI
InChI=1S/C16H32O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(17)21-14-15-22(18,19)20/h2-15H2,1H3,(H,18,19,20)
InChIKey
ADLFDNOTASDSPT-UHFFFAOYSA-N
Compound name
2-tetradecanoyloxyethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

818
Patents

336.19705 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.20433 183.1
[M+Na]+ 359.18627 186.0
[M-H]- 335.18977 180.2
[M+NH4]+ 354.23087 196.4
[M+K]+ 375.16021 182.6
[M+H-H2O]+ 319.19431 176.5
[M+HCOO]- 381.19525 195.9
[M+CH3COO]- 395.21090 206.1
[M+Na-2H]- 357.17172 181.4
[M]+ 336.19650 192.1
[M]- 336.19760 192.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe