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-d]pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

224.12732 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.134596 153.5
[M+Na]+ 247.116538 161.5
[M-H]- 223.120044 153.1
[M+NH4]+ 242.161143 171.6
[M+K]+ 263.090478 159.5
[M+H-H2O]+ 207.124580 146.9
[M+HCOO]- 269.125521 170.7
[M+CH3COO]- 283.141171 187.2
[M+Na-2H]- 245.101986 155.5
[M]+ 224.12677142 152.2
[M]- 224.12786858 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