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

15
Patents

223.13208 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.13936 150.9
[M+Na]+ 246.12130 157.3
[M-H]- 222.12480 154.7
[M+NH4]+ 241.16590 169.4
[M+K]+ 262.09524 155.6
[M+H-H2O]+ 206.12934 143.0
[M+HCOO]- 268.13028 172.4
[M+CH3COO]- 282.14593 189.2
[M+Na-2H]- 244.10675 150.4
[M]+ 223.13153 149.2
[M]- 223.13263 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