CID 7131452

2-(3,5-dimethyl-1,1-dioxo-2h-1,2,6-thiadiazin-4-yl)acetic acid

Structural Information

Molecular Formula
C7H10N2O4S
SMILES
CC1=C(C(=NS(=O)(=O)N1)C)CC(=O)O
InChI
InChI=1S/C7H10N2O4S/c1-4-6(3-7(10)11)5(2)9-14(12,13)8-4/h8H,3H2,1-2H3,(H,10,11)
InChIKey
QMHXEUBSYCYPHI-UHFFFAOYSA-N
Compound name
2-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.03613 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04341 140.5
[M+Na]+ 241.02535 150.5
[M-H]- 217.02885 139.6
[M+NH4]+ 236.06995 157.7
[M+K]+ 256.99929 147.3
[M+H-H2O]+ 201.03339 135.5
[M+HCOO]- 263.03433 153.6
[M+CH3COO]- 277.04998 179.7
[M+Na-2H]- 239.01080 143.1
[M]+ 218.03558 142.3
[M]- 218.03668 142.3
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.