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 159.3
[M+Na]+ 277.06173 168.2
[M-H]- 253.06523 164.6
[M+NH4]+ 272.10633 183.1
[M+K]+ 293.03567 168.2
[M+H-H2O]+ 237.06977 157.1
[M+HCOO]- 299.07071 173.5
[M+CH3COO]- 313.08636 198.6
[M+Na-2H]- 275.04718 156.7
[M]+ 254.07196 163.7
[M]- 254.07306 163.7
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.