CID 3025258

102367-29-3

Structural Information

Molecular Formula
C11H6N2O3S
SMILES
C1=CC2=C3C(=C1O2)C(=O)N(C3=O)CCSC#N
InChI
InChI=1S/C11H6N2O3S/c12-5-17-4-3-13-10(14)8-6-1-2-7(16-6)9(8)11(13)15/h1-2H,3-4H2
InChIKey
KIBMFAFKVSJJBU-UHFFFAOYSA-N
Compound name
2-(1,3-dioxo-4,7-epoxyisoindol-2-yl)ethyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.00992 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01720 150.1
[M+Na]+ 268.99914 160.6
[M+NH4]+ 264.04374 154.9
[M+K]+ 284.97308 155.3
[M-H]- 245.00264 143.7
[M+Na-2H]- 266.98459 148.5
[M]+ 246.00937 149.3
[M]- 246.01047 149.3
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.