CID 33786624

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1h-1,2,4-triazol-5-amine

Structural Information

Molecular Formula
C10H10N4O2
SMILES
C1COC2=C(O1)C=CC(=C2)C3=NC(=NN3)N
InChI
InChI=1S/C10H10N4O2/c11-10-12-9(13-14-10)6-1-2-7-8(5-6)16-4-3-15-7/h1-2,5H,3-4H2,(H3,11,12,13,14)
InChIKey
FYDPWALPOADVMH-UHFFFAOYSA-N
Compound name
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.08037 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08765 146.0
[M+Na]+ 241.06959 154.5
[M-H]- 217.07309 149.3
[M+NH4]+ 236.11419 159.1
[M+K]+ 257.04353 152.3
[M+H-H2O]+ 201.07763 137.3
[M+HCOO]- 263.07857 162.9
[M+CH3COO]- 277.09422 157.6
[M+Na-2H]- 239.05504 152.9
[M]+ 218.07982 143.4
[M]- 218.08092 143.4
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.