CID 105433334

2803861-44-9

Structural Information

Molecular Formula
C7H9N3O2
SMILES
COC(=O)C1=NNC2=C1CNC2
InChI
InChI=1S/C7H9N3O2/c1-12-7(11)6-4-2-8-3-5(4)9-10-6/h8H,2-3H2,1H3,(H,9,10)
InChIKey
GRUHHRCAQDWSCA-UHFFFAOYSA-N
Compound name
methyl 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.06947 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 135.4
[M+Na]+ 190.05869 143.8
[M-H]- 166.06219 133.6
[M+NH4]+ 185.10329 155.0
[M+K]+ 206.03263 141.5
[M+H-H2O]+ 150.06673 128.6
[M+HCOO]- 212.06767 153.2
[M+CH3COO]- 226.08332 171.2
[M+Na-2H]- 188.04414 138.5
[M]+ 167.06892 133.1
[M]- 167.07002 133.1
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.