CID 77605088

2309456-25-3

Structural Information

Molecular Formula
C12H17N3O4
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1C(=O)O)C=NN2C
InChI
InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)15-6-8-7(5-13-14(8)4)9(15)10(16)17/h5,9H,6H2,1-4H3,(H,16,17)
InChIKey
ZDFSHRAKGOOEMY-UHFFFAOYSA-N
Compound name
1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.12192 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12920 160.2
[M+Na]+ 290.11114 167.5
[M+NH4]+ 285.15574 164.4
[M+K]+ 306.08508 169.8
[M-H]- 266.11464 156.3
[M+Na-2H]- 288.09659 159.8
[M]+ 267.12137 159.6
[M]- 267.12247 159.6
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.