CID 122241583

2098140-87-3

Structural Information

Molecular Formula
C13H17N3O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)N2C=C(C=N2)C#C
InChI
InChI=1S/C13H17N3O2/c1-5-10-6-14-16(7-10)11-8-15(9-11)12(17)18-13(2,3)4/h1,6-7,11H,8-9H2,2-4H3
InChIKey
AEWFIEXPPDMJOZ-UHFFFAOYSA-N
Compound name
tert-butyl 3-(4-ethynylpyrazol-1-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.13208 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.13936 156.1
[M+Na]+ 270.12130 162.0
[M+NH4]+ 265.16590 154.9
[M+K]+ 286.09524 158.3
[M-H]- 246.12480 145.4
[M+Na-2H]- 268.10675 155.0
[M]+ 247.13153 151.9
[M]- 247.13263 151.9
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.