CID 302715

73806-12-9

Structural Information

Molecular Formula
C11H14N2O3S
SMILES
CN(C)C(=S)N1C(=O)C2C3CCC(C2C1=O)O3
InChI
InChI=1S/C11H14N2O3S/c1-12(2)11(17)13-9(14)7-5-3-4-6(16-5)8(7)10(13)15/h5-8H,3-4H2,1-2H3
InChIKey
YYPBHKYICPGEFO-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.07251 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07979 158.6
[M+Na]+ 277.06173 164.5
[M+NH4]+ 272.10633 166.4
[M+K]+ 293.03567 164.8
[M-H]- 253.06523 158.8
[M+Na-2H]- 275.04718 155.2
[M]+ 254.07196 159.5
[M]- 254.07306 159.5
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.