CID 83815388

1547025-88-6

Structural Information

Molecular Formula
C7H11N3O
SMILES
CN1C2=C(COCC2)C(=N1)N
InChI
InChI=1S/C7H11N3O/c1-10-6-2-3-11-4-5(6)7(8)9-10/h2-4H2,1H3,(H2,8,9)
InChIKey
OSDDKBZCCWOUAQ-UHFFFAOYSA-N
Compound name
1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.09021 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.09749 130.7
[M+Na]+ 176.07943 139.4
[M-H]- 152.08293 132.8
[M+NH4]+ 171.12403 150.4
[M+K]+ 192.05337 138.5
[M+H-H2O]+ 136.08747 123.9
[M+HCOO]- 198.08841 150.7
[M+CH3COO]- 212.10406 144.1
[M+Na-2H]- 174.06488 137.1
[M]+ 153.08966 128.7
[M]- 153.09076 128.7
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.