CID 28412419

1152950-66-7

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CC1=C(C(=NN1CC(=O)OC)C)N
InChI
InChI=1S/C8H13N3O2/c1-5-8(9)6(2)11(10-5)4-7(12)13-3/h4,9H2,1-3H3
InChIKey
JHWNEZOBMSOUIX-UHFFFAOYSA-N
Compound name
methyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

0.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.