CID 3044354

57105-59-6

Structural Information

Molecular Formula
C10H14N2O5S
SMILES
CN(C)S(=O)(=O)N1C(=O)C2C3CCC(C2C1=O)O3
InChI
InChI=1S/C10H14N2O5S/c1-11(2)18(15,16)12-9(13)7-5-3-4-6(17-5)8(7)10(12)14/h5-8H,3-4H2,1-2H3
InChIKey
LCHXFPBOPYFHGW-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.06235 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06963 159.7
[M+Na]+ 297.05157 169.1
[M-H]- 273.05507 165.1
[M+NH4]+ 292.09617 182.4
[M+K]+ 313.02551 169.9
[M+H-H2O]+ 257.05961 158.5
[M+HCOO]- 319.06055 174.3
[M+CH3COO]- 333.07620 200.2
[M+Na-2H]- 295.03702 160.9
[M]+ 274.06180 166.3
[M]- 274.06290 166.3
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.