CID 54593193

2h,4h,6h,7h-pyrano[4,3-c]pyrazol-3-amine

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1COCC2=C1NN=C2N
InChI
InChI=1S/C6H9N3O/c7-6-4-3-10-2-1-5(4)8-9-6/h1-3H2,(H3,7,8,9)
InChIKey
DVNGOOLQHQHDIA-UHFFFAOYSA-N
Compound name
1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

139.07455 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 125.9
[M+Na]+ 162.06377 133.7
[M-H]- 138.06727 126.5
[M+NH4]+ 157.10837 145.2
[M+K]+ 178.03771 132.2
[M+H-H2O]+ 122.07181 119.3
[M+HCOO]- 184.07275 144.9
[M+CH3COO]- 198.08840 138.8
[M+Na-2H]- 160.04922 133.2
[M]+ 139.07400 121.4
[M]- 139.07510 121.4
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