CID 117481

N-dodecyltaurine, monosodium salt

Structural Information

Molecular Formula
C14H31NO3S
SMILES
CCCCCCCCCCCCNCCOS(=O)O
InChI
InChI=1S/C14H31NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-18-19(16)17/h15H,2-14H2,1H3,(H,16,17)
InChIKey
ZHZMSMQMDJGFJC-UHFFFAOYSA-N
Compound name
2-(dodecylamino)ethyl hydrogen sulfite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.20245 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.20973 172.6
[M+Na]+ 316.19167 174.7
[M-H]- 292.19517 169.7
[M+NH4]+ 311.23627 187.4
[M+K]+ 332.16561 171.4
[M+H-H2O]+ 276.19971 165.4
[M+HCOO]- 338.20065 187.6
[M+CH3COO]- 352.21630 203.1
[M+Na-2H]- 314.17712 171.0
[M]+ 293.20190 179.0
[M]- 293.20300 179.0
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

No patent data available for this compound.