CID 13809946

Ethyl 5-amino-1-(tert-butyl)-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula
C10H17N3O2
SMILES
CCOC(=O)C1=C(N(N=C1)C(C)(C)C)N
InChI
InChI=1S/C10H17N3O2/c1-5-15-9(14)7-6-12-13(8(7)11)10(2,3)4/h6H,5,11H2,1-4H3
InChIKey
DJFSJKPXNYYPFK-UHFFFAOYSA-N
Compound name
ethyl 5-amino-1-tert-butylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

211.13208 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.13936 149.3
[M+Na]+ 234.12130 157.6
[M-H]- 210.12480 150.4
[M+NH4]+ 229.16590 167.3
[M+K]+ 250.09524 156.5
[M+H-H2O]+ 194.12934 142.6
[M+HCOO]- 256.13028 170.1
[M+CH3COO]- 270.14593 189.3
[M+Na-2H]- 232.10675 152.1
[M]+ 211.13153 151.1
[M]- 211.13263 151.1
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