CID 83866757

1781427-83-5

Structural Information

Molecular Formula
C12H17N3O4
SMILES
CC(C)(C)OC(=O)N1CC2=C(N(N=C2C1)C)C(=O)O
InChI
InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)15-5-7-8(6-15)13-14(4)9(7)10(16)17/h5-6H2,1-4H3,(H,16,17)
InChIKey
PNZQOYQFFIKBLM-UHFFFAOYSA-N
Compound name
2-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.12192 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12920 162.4
[M+Na]+ 290.11114 171.0
[M-H]- 266.11464 162.7
[M+NH4]+ 285.15574 179.4
[M+K]+ 306.08508 170.0
[M+H-H2O]+ 250.11918 156.6
[M+HCOO]- 312.12012 178.1
[M+CH3COO]- 326.13577 194.3
[M+Na-2H]- 288.09659 162.5
[M]+ 267.12137 165.5
[M]- 267.12247 165.5
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.