CID 11333571

398491-59-3

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

76
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 150.0
[M+Na]+ 247.11654 157.0
[M+NH4]+ 242.16114 155.3
[M+K]+ 263.09048 158.5
[M-H]- 223.12004 147.5
[M+Na-2H]- 245.10199 150.9
[M]+ 224.12677 149.7
[M]- 224.12787 149.7
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