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]+ 268.129196 162.4
[M+Na]+ 290.111138 171.0
[M-H]- 266.114644 162.7
[M+NH4]+ 285.155743 179.4
[M+K]+ 306.085078 170.0
[M+H-H2O]+ 250.119180 156.6
[M+HCOO]- 312.120121 178.1
[M+CH3COO]- 326.135771 194.3
[M+Na-2H]- 288.096586 162.5
[M]+ 267.12137142 165.5
[M]- 267.12246858 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.