CID 155970667

Tert-butyl 3-(5-amino-1h-pyrazol-4-yl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C11H18N4O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=C(NN=C2)N
InChI
InChI=1S/C11H18N4O2/c1-11(2,3)17-10(16)15-5-7(6-15)8-4-13-14-9(8)12/h4,7H,5-6H2,1-3H3,(H3,12,13,14)
InChIKey
UVWUFSDWOFKSIS-UHFFFAOYSA-N
Compound name
tert-butyl 3-(5-amino-1H-pyrazol-4-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.14297 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15025 158.0
[M+Na]+ 261.13219 161.5
[M+NH4]+ 256.17679 158.9
[M+K]+ 277.10613 162.5
[M-H]- 237.13569 154.2
[M+Na-2H]- 259.11764 158.1
[M]+ 238.14242 155.7
[M]- 238.14352 155.7
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