CID 118341

2-(trimethylazaniumyl)ethyl sulfite

Structural Information

Molecular Formula
C5H14NO3S
SMILES
C[N+](C)(C)CCOS(=O)O
InChI
InChI=1S/C5H13NO3S/c1-6(2,3)4-5-9-10(7)8/h4-5H2,1-3H3/p+1
InChIKey
LHYMGTWTJKPBRQ-UHFFFAOYSA-O
Compound name
trimethyl(2-sulfinooxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.06944 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07672 131.2
[M+Na]+ 191.05866 141.2
[M+NH4]+ 186.10326 139.6
[M+K]+ 207.03260 136.8
[M-H]- 167.06216 131.6
[M+Na-2H]- 189.04411 134.7
[M]+ 168.06889 133.3
[M]- 168.06999 133.3
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.