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

4
Patents

223.13208 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.139356 152.7
[M+Na]+ 246.121298 158.1
[M-H]- 222.124804 154.0
[M+NH4]+ 241.165903 161.7
[M+K]+ 262.095238 159.2
[M+H-H2O]+ 206.129340 139.9
[M+HCOO]- 268.130281 168.1
[M+CH3COO]- 282.145931 187.9
[M+Na-2H]- 244.106746 155.0
[M]+ 223.13153142 160.4
[M]- 223.13262858 160.4
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