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

3
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 152.7
[M+Na]+ 246.12130 158.1
[M-H]- 222.12480 154.0
[M+NH4]+ 241.16590 161.7
[M+K]+ 262.09524 159.2
[M+H-H2O]+ 206.12934 139.9
[M+HCOO]- 268.13028 168.1
[M+CH3COO]- 282.14593 187.9
[M+Na-2H]- 244.10675 155.0
[M]+ 223.13153 160.4
[M]- 223.13263 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