CID 66277333

N3-(2,3-dihydrobenzofuran-3-yl)-4h-1,2,4-triazole-3,5-diamine

Structural Information

Molecular Formula
C10H11N5O
SMILES
C1C(C2=CC=CC=C2O1)NC3=NNC(=N3)N
InChI
InChI=1S/C10H11N5O/c11-9-13-10(15-14-9)12-7-5-16-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H4,11,12,13,14,15)
InChIKey
GRINOSYZMRTBQI-UHFFFAOYSA-N
Compound name
3-N-(2,3-dihydro-1-benzofuran-3-yl)-1H-1,2,4-triazole-3,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.09636 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.10364 143.0
[M+Na]+ 240.08558 151.3
[M-H]- 216.08908 146.5
[M+NH4]+ 235.13018 159.2
[M+K]+ 256.05952 148.2
[M+H-H2O]+ 200.09362 134.7
[M+HCOO]- 262.09456 164.1
[M+CH3COO]- 276.11021 155.1
[M+Na-2H]- 238.07103 148.7
[M]+ 217.09581 140.2
[M]- 217.09691 140.2
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.