CID 58440750

165894-06-4

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CC(C)(C)OC(=O)N1CCN2C(=CC=N2)C1
InChI
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)13-6-7-14-9(8-13)4-5-12-14/h4-5H,6-8H2,1-3H3
InChIKey
DVXJIVBUWXAWHA-UHFFFAOYSA-N
Compound name
tert-butyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

223.13208 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.139356 153.4
[M+Na]+ 246.121298 160.7
[M-H]- 222.124804 153.6
[M+NH4]+ 241.165903 170.7
[M+K]+ 262.095238 159.3
[M+H-H2O]+ 206.129340 145.9
[M+HCOO]- 268.130281 169.1
[M+CH3COO]- 282.145931 187.2
[M+Na-2H]- 244.106746 157.9
[M]+ 223.13153142 153.4
[M]- 223.13262858 153.4
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

patents stripe