CID 11333571

Tert-butyl 3-amino-1h,4h,5h,6h-pyrrolo[3,4-c]pyrazole-5-carboxylate

Structural Information

Molecular Formula
C10H16N4O2
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)NN=C2N
InChI
InChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)14-4-6-7(5-14)12-13-8(6)11/h4-5H2,1-3H3,(H3,11,12,13)
InChIKey
BEVRTOCHMXNPLY-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

224.12732 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13460 153.5
[M+Na]+ 247.11654 161.5
[M-H]- 223.12004 153.1
[M+NH4]+ 242.16114 171.6
[M+K]+ 263.09048 159.5
[M+H-H2O]+ 207.12458 146.9
[M+HCOO]- 269.12552 170.7
[M+CH3COO]- 283.14117 187.2
[M+Na-2H]- 245.10199 155.5
[M]+ 224.12677 152.2
[M]- 224.12787 152.2
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