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]+ 239.150246 159.6
[M+Na]+ 261.132188 164.6
[M-H]- 237.135694 160.6
[M+NH4]+ 256.176793 167.5
[M+K]+ 277.106128 165.5
[M+H-H2O]+ 221.140230 146.2
[M+HCOO]- 283.141171 175.2
[M+CH3COO]- 297.156821 193.3
[M+Na-2H]- 259.117636 160.4
[M]+ 238.14242142 165.8
[M]- 238.14351858 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