CID 172407842

Chebi:231948

Structural Information

Molecular Formula
C18H39NO4S
SMILES
CCCCCCCCCCCCCCCC([C@H](CS(=O)(=O)O)N)O
InChI
InChI=1S/C18H39NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24(21,22)23/h17-18,20H,2-16,19H2,1H3,(H,21,22,23)/t17-,18?/m0/s1
InChIKey
ODRTZKBYASKCDN-ZENAZSQFSA-N
Compound name
(2R)-2-amino-3-hydroxyoctadecane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.25998 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.26726 193.3
[M+Na]+ 388.24920 193.3
[M-H]- 364.25270 187.7
[M+NH4]+ 383.29380 203.9
[M+K]+ 404.22314 188.8
[M+H-H2O]+ 348.25724 186.1
[M+HCOO]- 410.25818 202.6
[M+CH3COO]- 424.27383 214.4
[M+Na-2H]- 386.23465 188.4
[M]+ 365.25943 197.8
[M]- 365.26053 197.8
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

No patent data available for this compound.