CID 71305923

1391733-77-9

Structural Information

Molecular Formula
C12H20N4O2
SMILES
CC(C)(C)OC(=O)N1CCN2C(=C(C=N2)CN)C1
InChI
InChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)15-4-5-16-10(8-15)9(6-13)7-14-16/h7H,4-6,8,13H2,1-3H3
InChIKey
RKOUWNPPKIJNRI-UHFFFAOYSA-N
Compound name
tert-butyl 3-(aminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.15863 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16591 161.8
[M+Na]+ 275.14785 168.7
[M-H]- 251.15135 161.7
[M+NH4]+ 270.19245 177.5
[M+K]+ 291.12179 166.6
[M+H-H2O]+ 235.15589 154.1
[M+HCOO]- 297.15683 177.6
[M+CH3COO]- 311.17248 195.7
[M+Na-2H]- 273.13330 164.7
[M]+ 252.15808 160.9
[M]- 252.15918 160.9
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

No patent data available for this compound.