CID 132398472

2172543-20-1

Structural Information

Molecular Formula
C13H22N4O2
SMILES
CC(C)(C)OC(=O)N1CCN2C(=C(C=N2)CNC)C1
InChI
InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)16-5-6-17-11(9-16)10(7-14-4)8-15-17/h8,14H,5-7,9H2,1-4H3
InChIKey
FHPMILRFKYAYHD-UHFFFAOYSA-N
Compound name
tert-butyl 3-(methylaminomethyl)-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

266.1743 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18158 165.9
[M+Na]+ 289.16352 172.3
[M-H]- 265.16702 166.1
[M+NH4]+ 284.20812 181.3
[M+K]+ 305.13746 170.3
[M+H-H2O]+ 249.17156 158.0
[M+HCOO]- 311.17250 181.9
[M+CH3COO]- 325.18815 199.3
[M+Na-2H]- 287.14897 169.3
[M]+ 266.17375 166.3
[M]- 266.17485 166.3
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.