CID 77399

3772-95-0

Structural Information

Molecular Formula
C16H31NO6S
SMILES
CCCCCCCCCCCC(=O)OCCNC(=O)CS(=O)(=O)O
InChI
InChI=1S/C16H31NO6S/c1-2-3-4-5-6-7-8-9-10-11-16(19)23-13-12-17-15(18)14-24(20,21)22/h2-14H2,1H3,(H,17,18)(H,20,21,22)
InChIKey
CJGYLAAHOPOHFL-UHFFFAOYSA-N
Compound name
2-(2-dodecanoyloxyethylamino)-2-oxoethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

365.1872 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.19448 187.8
[M+Na]+ 388.17642 189.5
[M-H]- 364.17992 184.7
[M+NH4]+ 383.22102 199.3
[M+K]+ 404.15036 186.6
[M+H-H2O]+ 348.18446 180.7
[M+HCOO]- 410.18540 200.9
[M+CH3COO]- 424.20105 212.5
[M+Na-2H]- 386.16187 186.0
[M]+ 365.18665 195.9
[M]- 365.18775 195.9
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