CID 3056564

73806-17-4

Structural Information

Molecular Formula
C10H10N2O3S
SMILES
C1CC2C3C(C1O2)C(=O)N(C3=O)CSC#N
InChI
InChI=1S/C10H10N2O3S/c11-3-16-4-12-9(13)7-5-1-2-6(15-5)8(7)10(12)14/h5-8H,1-2,4H2
InChIKey
IVBMMYCNWLKIFA-UHFFFAOYSA-N
Compound name
(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)methyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.04121 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.048486 153.0
[M+Na]+ 261.030428 166.1
[M-H]- 237.033934 156.8
[M+NH4]+ 256.075033 174.9
[M+K]+ 277.004368 161.9
[M+H-H2O]+ 221.038470 143.9
[M+HCOO]- 283.039411 164.5
[M+CH3COO]- 297.055061 165.0
[M+Na-2H]- 259.015876 152.5
[M]+ 238.04066142 152.9
[M]- 238.04175858 152.9
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.