CID 20120850

5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C10H9N3O2
SMILES
C1C(OC2=CC=CC=C21)C3=NN=C(O3)N
InChI
InChI=1S/C10H9N3O2/c11-10-13-12-9(15-10)8-5-6-3-1-2-4-7(6)14-8/h1-4,8H,5H2,(H2,11,13)
InChIKey
WIRXXPMFPSECKP-UHFFFAOYSA-N
Compound name
5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

203.06947 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07675 139.7
[M+Na]+ 226.05869 149.4
[M-H]- 202.06219 146.4
[M+NH4]+ 221.10329 157.5
[M+K]+ 242.03263 148.7
[M+H-H2O]+ 186.06673 132.8
[M+HCOO]- 248.06767 161.8
[M+CH3COO]- 262.08332 153.7
[M+Na-2H]- 224.04414 145.7
[M]+ 203.06892 140.7
[M]- 203.07002 140.7
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

patents stripe