CID 91647478

1798716-97-8

Structural Information

Molecular Formula
C6H9N3O2
SMILES
C1COCC2=NN=C(N21)CO
InChI
InChI=1S/C6H9N3O2/c10-3-5-7-8-6-4-11-2-1-9(5)6/h10H,1-4H2
InChIKey
VPKVOLNWGQRDCM-UHFFFAOYSA-N
Compound name
6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.06947 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.07675 129.8
[M+Na]+ 178.05869 138.3
[M-H]- 154.06219 129.3
[M+NH4]+ 173.10329 147.5
[M+K]+ 194.03263 137.7
[M+H-H2O]+ 138.06673 122.3
[M+HCOO]- 200.06767 147.1
[M+CH3COO]- 214.08332 142.5
[M+Na-2H]- 176.04414 137.3
[M]+ 155.06892 128.8
[M]- 155.07002 128.8
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.