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 159.0
[M+Na]+ 276.09548 166.6
[M-H]- 252.09898 157.7
[M+NH4]+ 271.14008 175.4
[M+K]+ 292.06942 165.1
[M+H-H2O]+ 236.10352 153.1
[M+HCOO]- 298.10446 173.5
[M+CH3COO]- 312.12011 187.7
[M+Na-2H]- 274.08093 159.7
[M]+ 253.10571 159.4
[M]- 253.10681 159.4
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