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

12
Patents

195.10077 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.108046 144.4
[M+Na]+ 218.089988 154.3
[M-H]- 194.093494 148.1
[M+NH4]+ 213.134593 157.3
[M+K]+ 234.063928 149.6
[M+H-H2O]+ 178.098030 137.2
[M+HCOO]- 240.098971 166.1
[M+CH3COO]- 254.114621 185.9
[M+Na-2H]- 216.075436 146.8
[M]+ 195.10022142 145.9
[M]- 195.10131858 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