CID 901798

34605-62-4

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CCOC(=O)C1=C(N(N=C1C)C)N
InChI
InChI=1S/C8H13N3O2/c1-4-13-8(12)6-5(2)10-11(3)7(6)9/h4,9H2,1-3H3
InChIKey
HNAXVECMNRHKAR-UHFFFAOYSA-N
Compound name
ethyl 5-amino-1,3-dimethylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

183.10077 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 139.2
[M+Na]+ 206.08999 148.9
[M-H]- 182.09349 140.7
[M+NH4]+ 201.13459 158.4
[M+K]+ 222.06393 147.7
[M+H-H2O]+ 166.09803 132.4
[M+HCOO]- 228.09897 162.3
[M+CH3COO]- 242.11462 184.8
[M+Na-2H]- 204.07544 141.6
[M]+ 183.10022 141.3
[M]- 183.10132 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe