CID 448830

Ndsb-195

Structural Information

Molecular Formula
C7H18NO3S
SMILES
CC[N+](C)(C)CCCS(=O)(=O)O
InChI
InChI=1S/C7H17NO3S/c1-4-8(2,3)6-5-7-12(9,10)11/h4-7H2,1-3H3/p+1
InChIKey
NNCRHRDBFDCWPA-UHFFFAOYSA-O
Compound name
ethyl-dimethyl-(3-sulfopropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

625
Patents

196.10074 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.10802 140.6
[M+Na]+ 219.08996 150.3
[M+NH4]+ 214.13456 148.3
[M+K]+ 235.06390 145.7
[M-H]- 195.09346 140.2
[M+Na-2H]- 217.07541 143.7
[M]+ 196.10019 142.5
[M]- 196.10129 142.5
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