CID 137951520

2174007-60-2

Structural Information

Molecular Formula
C13H17N3O2
SMILES
CC(C)(C)OC(=O)N1CCN2C(=C(C=N2)C#C)C1
InChI
InChI=1S/C13H17N3O2/c1-5-10-8-14-16-7-6-15(9-11(10)16)12(17)18-13(2,3)4/h1,8H,6-7,9H2,2-4H3
InChIKey
UBWIYZZAPOSXQT-UHFFFAOYSA-N
Compound name
tert-butyl 3-ethynyl-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

247.13208 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.13936 158.2
[M+Na]+ 270.12130 168.1
[M+NH4]+ 265.16590 160.9
[M+K]+ 286.09524 162.1
[M-H]- 246.12480 148.9
[M+Na-2H]- 268.10675 157.8
[M]+ 247.13153 155.9
[M]- 247.13263 155.9
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.