CID 138040261

2243511-99-9

Structural Information

Molecular Formula
C13H19N3O4
SMILES
CC1(C2=C(CN1C(=O)OC(C)(C)C)C(=NN2)C(=O)O)C
InChI
InChI=1S/C13H19N3O4/c1-12(2,3)20-11(19)16-6-7-8(10(17)18)14-15-9(7)13(16,4)5/h6H2,1-5H3,(H,14,15)(H,17,18)
InChIKey
DNLIRWUFRXSOJZ-UHFFFAOYSA-N
Compound name
6,6-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.13754 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14482 165.7
[M+Na]+ 304.12676 174.4
[M-H]- 280.13026 164.8
[M+NH4]+ 299.17136 183.4
[M+K]+ 320.10070 172.6
[M+H-H2O]+ 264.13480 161.1
[M+HCOO]- 326.13574 179.6
[M+CH3COO]- 340.15139 194.5
[M+Na-2H]- 302.11221 166.5
[M]+ 281.13699 167.7
[M]- 281.13809 167.7
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.