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

26
Patents

225.14772 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.15500 153.9
[M+Na]+ 248.13694 161.8
[M-H]- 224.14044 154.8
[M+NH4]+ 243.18154 171.3
[M+K]+ 264.11088 160.4
[M+H-H2O]+ 208.14498 147.0
[M+HCOO]- 270.14592 174.4
[M+CH3COO]- 284.16157 192.3
[M+Na-2H]- 246.12239 156.2
[M]+ 225.14717 156.1
[M]- 225.14827 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