CID 33786624

1092294-05-7

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]+ 219.087646 146.0
[M+Na]+ 241.069588 154.5
[M-H]- 217.073094 149.3
[M+NH4]+ 236.114193 159.1
[M+K]+ 257.043528 152.3
[M+H-H2O]+ 201.077630 137.3
[M+HCOO]- 263.078571 162.9
[M+CH3COO]- 277.094221 157.6
[M+Na-2H]- 239.055036 152.9
[M]+ 218.07982142 143.4
[M]- 218.08091858 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.