CID 82418259

4h,6h,7h-pyrano[3,4-d][1,2]oxazol-3-amine

Structural Information

Molecular Formula
C6H8N2O2
SMILES
C1COCC2=C1ON=C2N
InChI
InChI=1S/C6H8N2O2/c7-6-4-3-9-2-1-5(4)10-8-6/h1-3H2,(H2,7,8)
InChIKey
XNGVRDGTMYPAQM-UHFFFAOYSA-N
Compound name
6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.05858 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.065856 124.3
[M+Na]+ 163.047798 132.5
[M-H]- 139.051304 128.3
[M+NH4]+ 158.092403 144.3
[M+K]+ 179.021738 133.4
[M+H-H2O]+ 123.055840 118.5
[M+HCOO]- 185.056781 145.3
[M+CH3COO]- 199.072431 138.5
[M+Na-2H]- 161.033246 133.0
[M]+ 140.05803142 123.1
[M]- 140.05912858 123.1
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.