CID 121017

3-(dodecylamino)propane-1-sulfonic acid

Structural Information

Molecular Formula
C15H33NO3S
SMILES
CCCCCCCCCCCCNCCCS(=O)(=O)O
InChI
InChI=1S/C15H33NO3S/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-20(17,18)19/h16H,2-15H2,1H3,(H,17,18,19)
InChIKey
ONDJNAKJCWJYSX-UHFFFAOYSA-N
Compound name
3-(dodecylamino)propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2444
Patents

307.2181 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.22538 176.7
[M+Na]+ 330.20732 179.3
[M-H]- 306.21082 173.8
[M+NH4]+ 325.25192 191.1
[M+K]+ 346.18126 175.1
[M+H-H2O]+ 290.21536 170.0
[M+HCOO]- 352.21630 191.1
[M+CH3COO]- 366.23195 204.9
[M+Na-2H]- 328.19277 176.6
[M]+ 307.21755 183.0
[M]- 307.21865 183.0
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