CID 103176

2-(dimethylamino)ethyl chlorosulfite, hydrochloride

Structural Information

Molecular Formula
C4H10ClNO2S
SMILES
CN(C)CCOS(=O)Cl
InChI
InChI=1S/C4H10ClNO2S/c1-6(2)3-4-8-9(5)7/h3-4H2,1-2H3
InChIKey
JPQSMHDKOVDCCK-UHFFFAOYSA-N
Compound name
1-chlorosulfinyloxy-2-(dimethylamino)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.01208 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.01936 130.7
[M+Na]+ 194.00130 138.5
[M-H]- 170.00480 132.9
[M+NH4]+ 189.04590 152.8
[M+K]+ 209.97524 137.7
[M+H-H2O]+ 154.00934 126.5
[M+HCOO]- 216.01028 146.2
[M+CH3COO]- 230.02593 181.1
[M+Na-2H]- 191.98675 133.3
[M]+ 171.01153 136.9
[M]- 171.01263 136.9
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.