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

2
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 159.6
[M+Na]+ 261.13219 164.6
[M-H]- 237.13569 160.6
[M+NH4]+ 256.17679 167.5
[M+K]+ 277.10613 165.5
[M+H-H2O]+ 221.14023 146.2
[M+HCOO]- 283.14117 175.2
[M+CH3COO]- 297.15682 193.3
[M+Na-2H]- 259.11764 160.4
[M]+ 238.14242 165.8
[M]- 238.14352 165.8
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