CID 475129

2-[(5-amino-1,1-dioxo-1,2,6-thiadiazin-2-yl)methoxy]ethanol

Structural Information

Molecular Formula
C6H11N3O4S
SMILES
C1=CN(S(=O)(=O)N=C1N)COCCO
InChI
InChI=1S/C6H11N3O4S/c7-6-1-2-9(5-13-4-3-10)14(11,12)8-6/h1-2,10H,3-5H2,(H2,7,8)
InChIKey
ABYUCPNPGFSBNZ-UHFFFAOYSA-N
Compound name
2-[(5-amino-1,1-dioxo-1,2,6-thiadiazin-2-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.04703 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.05431 141.1
[M+Na]+ 244.03625 150.2
[M-H]- 220.03975 140.6
[M+NH4]+ 239.08085 158.1
[M+K]+ 260.01019 147.6
[M+H-H2O]+ 204.04429 134.9
[M+HCOO]- 266.04523 157.3
[M+CH3COO]- 280.06088 182.3
[M+Na-2H]- 242.02170 145.9
[M]+ 221.04648 143.4
[M]- 221.04758 143.4
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.