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]+ 240.134276 156.7
[M+Na]+ 262.116218 164.3
[M-H]- 238.119724 155.9
[M+NH4]+ 257.160823 172.8
[M+K]+ 278.090158 162.6
[M+H-H2O]+ 222.124260 149.7
[M+HCOO]- 284.125201 171.1
[M+CH3COO]- 298.140851 188.0
[M+Na-2H]- 260.101666 160.2
[M]+ 239.12645142 156.7
[M]- 239.12754858 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.