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 158.7
[M+Na]+ 275.14785 167.0
[M+NH4]+ 270.19245 164.3
[M+K]+ 291.12179 165.4
[M-H]- 251.15135 157.3
[M+Na-2H]- 273.13330 160.5
[M]+ 252.15808 159.0
[M]- 252.15918 159.0
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.