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]+ 219.08765 148.1
[M+Na]+ 241.06959 157.2
[M-H]- 217.07309 149.6
[M+NH4]+ 236.11419 164.8
[M+K]+ 257.04353 153.3
[M+H-H2O]+ 201.07763 139.5
[M+HCOO]- 263.07857 164.8
[M+CH3COO]- 277.09422 159.5
[M+Na-2H]- 239.05504 149.5
[M]+ 218.07982 144.8
[M]- 218.08092 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.