CID 3159650

(4-amino-3,5-dimethyl-1h-pyrazol-1-yl)acetic acid dihydrochloride hydrate

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CC1=C(C(=NN1CC(=O)O)C)N
InChI
InChI=1S/C7H11N3O2/c1-4-7(8)5(2)10(9-4)3-6(11)12/h3,8H2,1-2H3,(H,11,12)
InChIKey
JNPJNBBUGOGDFW-UHFFFAOYSA-N
Compound name
2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

169.08513 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.092406 135.2
[M+Na]+ 192.074348 144.8
[M-H]- 168.077854 135.4
[M+NH4]+ 187.118953 154.2
[M+K]+ 208.048288 143.0
[M+H-H2O]+ 152.082390 128.8
[M+HCOO]- 214.083331 157.1
[M+CH3COO]- 228.098981 180.0
[M+Na-2H]- 190.059796 137.6
[M]+ 169.08458142 135.1
[M]- 169.08567858 135.1
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

No patent data available for this compound.