CID 165641857

Tert-butyl 3-(1h-pyrazol-4-yl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=CNN=C2
InChI
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-6-9(7-14)8-4-12-13-5-8/h4-5,9H,6-7H2,1-3H3,(H,12,13)
InChIKey
IBPWSHWPGMHAAB-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1H-pyrazol-4-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

223.13208 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.13936 151.7
[M+Na]+ 246.12130 156.4
[M+NH4]+ 241.16590 153.3
[M+K]+ 262.09524 156.7
[M-H]- 222.12480 147.8
[M+Na-2H]- 244.10675 153.0
[M]+ 223.13153 149.7
[M]- 223.13263 149.7
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

patents stripe