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

57
Patents

223.13208 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.13936 153.4
[M+Na]+ 246.12130 160.7
[M-H]- 222.12480 153.6
[M+NH4]+ 241.16590 170.7
[M+K]+ 262.09524 159.3
[M+H-H2O]+ 206.12934 145.9
[M+HCOO]- 268.13028 169.1
[M+CH3COO]- 282.14593 187.2
[M+Na-2H]- 244.10675 157.9
[M]+ 223.13153 153.4
[M]- 223.13263 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