CID 3060515

Brn 4456052

Structural Information

Molecular Formula
C9H9N3O2
SMILES
C1COCC2=NN=C(N21)C3=CC=CO3
InChI
InChI=1S/C9H9N3O2/c1-2-7(14-4-1)9-11-10-8-6-13-5-3-12(8)9/h1-2,4H,3,5-6H2
InChIKey
UUPGWDMVJYHKKP-UHFFFAOYSA-N
Compound name
3-(furan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.06947 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07675 135.2
[M+Na]+ 214.05869 145.3
[M-H]- 190.06219 140.6
[M+NH4]+ 209.10329 152.4
[M+K]+ 230.03263 145.3
[M+H-H2O]+ 174.06673 127.6
[M+HCOO]- 236.06767 155.8
[M+CH3COO]- 250.08332 149.2
[M+Na-2H]- 212.04414 142.2
[M]+ 191.06892 137.5
[M]- 191.07002 137.5
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.