CID 125725745

Tert-butyl 3-(4-amino-1h-pyrazol-1-yl)propanoate

Structural Information

Molecular Formula
C10H17N3O2
SMILES
CC(C)(C)OC(=O)CCN1C=C(C=N1)N
InChI
InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)4-5-13-7-8(11)6-12-13/h6-7H,4-5,11H2,1-3H3
InChIKey
UGUOPGYXDOYPNK-UHFFFAOYSA-N
Compound name
tert-butyl 3-(4-aminopyrazol-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

211.13208 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.13936 148.5
[M+Na]+ 234.12130 156.9
[M+NH4]+ 229.16590 154.0
[M+K]+ 250.09524 155.3
[M-H]- 210.12480 147.1
[M+Na-2H]- 232.10675 151.6
[M]+ 211.13153 148.9
[M]- 211.13263 148.9
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