CID 20784817

258353-57-0

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1COCC2=C1NN=C2
InChI
InChI=1S/C6H8N2O/c1-2-9-4-5-3-7-8-6(1)5/h3H,1-2,4H2,(H,7,8)
InChIKey
BVXUWXXNYXLXCQ-UHFFFAOYSA-N
Compound name
1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

124.06366 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 121.7
[M+Na]+ 147.05288 129.4
[M-H]- 123.05638 122.4
[M+NH4]+ 142.09748 141.9
[M+K]+ 163.02682 128.5
[M+H-H2O]+ 107.06092 115.2
[M+HCOO]- 169.06186 140.2
[M+CH3COO]- 183.07751 135.0
[M+Na-2H]- 145.03833 130.3
[M]+ 124.06311 118.4
[M]- 124.06421 118.4
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