CID 12508126

Ethyl 5-amino-1-cyclopentyl-1h-pyrazole-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CCOC(=O)C1=C(N(N=C1)C2CCCC2)N
InChI
InChI=1S/C11H17N3O2/c1-2-16-11(15)9-7-13-14(10(9)12)8-5-3-4-6-8/h7-8H,2-6,12H2,1H3
InChIKey
XAMABJRYYIAABD-UHFFFAOYSA-N
Compound name
ethyl 5-amino-1-cyclopentylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

223.13208 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.139356 150.9
[M+Na]+ 246.121298 157.3
[M-H]- 222.124804 154.7
[M+NH4]+ 241.165903 169.4
[M+K]+ 262.095238 155.6
[M+H-H2O]+ 206.129340 143.0
[M+HCOO]- 268.130281 172.4
[M+CH3COO]- 282.145931 189.2
[M+Na-2H]- 244.106746 150.4
[M]+ 223.13153142 149.2
[M]- 223.13262858 149.2
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