CID 45489922

1160248-35-0

Structural Information

Molecular Formula
C11H15N3O4
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)NN=C2C(=O)O
InChI
InChI=1S/C11H15N3O4/c1-11(2,3)18-10(17)14-4-6-7(5-14)12-13-8(6)9(15)16/h4-5H2,1-3H3,(H,12,13)(H,15,16)
InChIKey
SBFDXYJFMPRVOE-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

253.10626 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11354 156.2
[M+Na]+ 276.09548 162.8
[M+NH4]+ 271.14008 160.2
[M+K]+ 292.06942 165.5
[M-H]- 252.09898 151.7
[M+Na-2H]- 274.08093 155.7
[M]+ 253.10571 155.2
[M]- 253.10681 155.2
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

patents stripe