CID 105448857

Ethyl 3-amino-4-cyclopropyl-1h-pyrazole-5-carboxylate

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CCOC(=O)C1=C(C(=NN1)N)C2CC2
InChI
InChI=1S/C9H13N3O2/c1-2-14-9(13)7-6(5-3-4-5)8(10)12-11-7/h5H,2-4H2,1H3,(H3,10,11,12)
InChIKey
RODZQPHFRPILPS-UHFFFAOYSA-N
Compound name
ethyl 3-amino-4-cyclopropyl-1H-pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

195.10077 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 144.4
[M+Na]+ 218.08999 154.3
[M-H]- 194.09349 148.1
[M+NH4]+ 213.13459 157.3
[M+K]+ 234.06393 149.6
[M+H-H2O]+ 178.09803 137.2
[M+HCOO]- 240.09897 166.1
[M+CH3COO]- 254.11462 185.9
[M+Na-2H]- 216.07544 146.8
[M]+ 195.10022 145.9
[M]- 195.10132 145.9
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