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

78
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 129.3
[M+Na]+ 191.05866 136.1
[M-H]- 167.06216 130.2
[M+NH4]+ 186.10326 150.0
[M+K]+ 207.03260 130.7
[M+H-H2O]+ 151.06670 127.4
[M+HCOO]- 213.06764 146.8
[M+CH3COO]- 227.08329 172.0
[M+Na-2H]- 189.04411 136.0
[M]+ 168.06889 131.8
[M]- 168.06999 131.8
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