CID 121229926

1823862-82-3

Structural Information

Molecular Formula
C11H17N3O3
SMILES
CC(C)(C)OC(=O)N1CCN2C(=C(C=N2)O)C1
InChI
InChI=1S/C11H17N3O3/c1-11(2,3)17-10(16)13-4-5-14-8(7-13)9(15)6-12-14/h6,15H,4-5,7H2,1-3H3
InChIKey
QENZCIOPIXEGSR-UHFFFAOYSA-N
Compound name
tert-butyl 3-hydroxy-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

239.127 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13428 156.7
[M+Na]+ 262.11622 164.3
[M-H]- 238.11972 155.9
[M+NH4]+ 257.16082 172.8
[M+K]+ 278.09016 162.6
[M+H-H2O]+ 222.12426 149.7
[M+HCOO]- 284.12520 171.1
[M+CH3COO]- 298.14085 188.0
[M+Na-2H]- 260.10167 160.2
[M]+ 239.12645 156.7
[M]- 239.12755 156.7
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

No patent data available for this compound.