CID 3045976

1h-isoindole-1,3(2h)-dione, 4,5,6,7-tetrahydro-2-(1h-1,2,4-triazol-3-yl)-

Structural Information

Molecular Formula
C10H10N4O2
SMILES
C1CCC2=C(C1)C(=O)N(C2=O)C3=NC=NN3
InChI
InChI=1S/C10H10N4O2/c15-8-6-3-1-2-4-7(6)9(16)14(8)10-11-5-12-13-10/h5H,1-4H2,(H,11,12,13)
InChIKey
AABLPJXYMMCJGJ-UHFFFAOYSA-N
Compound name
2-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.08037 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.087646 148.1
[M+Na]+ 241.069588 157.2
[M-H]- 217.073094 149.6
[M+NH4]+ 236.114193 164.8
[M+K]+ 257.043528 153.3
[M+H-H2O]+ 201.077630 139.5
[M+HCOO]- 263.078571 164.8
[M+CH3COO]- 277.094221 159.5
[M+Na-2H]- 239.055036 149.5
[M]+ 218.07982142 144.8
[M]- 218.08091858 144.8
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.