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]+ 267.181576 165.9
[M+Na]+ 289.163518 172.3
[M-H]- 265.167024 166.1
[M+NH4]+ 284.208123 181.3
[M+K]+ 305.137458 170.3
[M+H-H2O]+ 249.171560 158.0
[M+HCOO]- 311.172501 181.9
[M+CH3COO]- 325.188151 199.3
[M+Na-2H]- 287.148966 169.3
[M]+ 266.17375142 166.3
[M]- 266.17484858 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.