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-d]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

253.10626 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.113536 159.0
[M+Na]+ 276.095478 166.6
[M-H]- 252.098984 157.7
[M+NH4]+ 271.140083 175.4
[M+K]+ 292.069418 165.1
[M+H-H2O]+ 236.103520 153.1
[M+HCOO]- 298.104461 173.5
[M+CH3COO]- 312.120111 187.7
[M+Na-2H]- 274.080926 159.7
[M]+ 253.10571142 159.4
[M]- 253.10680858 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