CID 59345794

Ethyl 2-(5-amino-3-tert-butyl-1h-pyrazol-1-yl)acetate

Structural Information

Molecular Formula
C11H19N3O2
SMILES
CCOC(=O)CN1C(=CC(=N1)C(C)(C)C)N
InChI
InChI=1S/C11H19N3O2/c1-5-16-10(15)7-14-9(12)6-8(13-14)11(2,3)4/h6H,5,7,12H2,1-4H3
InChIKey
NKLKNVALGKYXRM-UHFFFAOYSA-N
Compound name
ethyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

225.14772 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.154996 153.9
[M+Na]+ 248.136938 161.8
[M-H]- 224.140444 154.8
[M+NH4]+ 243.181543 171.3
[M+K]+ 264.110878 160.4
[M+H-H2O]+ 208.144980 147.0
[M+HCOO]- 270.145921 174.4
[M+CH3COO]- 284.161571 192.3
[M+Na-2H]- 246.122386 156.2
[M]+ 225.14717142 156.1
[M]- 225.14826858 156.1
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