CID 901798

Ethyl 5-amino-1,3-dimethyl-1h-pyrazole-4-carboxylate

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]+ 184.108046 139.2
[M+Na]+ 206.089988 148.9
[M-H]- 182.093494 140.7
[M+NH4]+ 201.134593 158.4
[M+K]+ 222.063928 147.7
[M+H-H2O]+ 166.098030 132.4
[M+HCOO]- 228.098971 162.3
[M+CH3COO]- 242.114621 184.8
[M+Na-2H]- 204.075436 141.6
[M]+ 183.10022142 141.3
[M]- 183.10131858 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