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]+ 170.09241 135.2
[M+Na]+ 192.07435 144.8
[M-H]- 168.07785 135.4
[M+NH4]+ 187.11895 154.2
[M+K]+ 208.04829 143.0
[M+H-H2O]+ 152.08239 128.8
[M+HCOO]- 214.08333 157.1
[M+CH3COO]- 228.09898 180.0
[M+Na-2H]- 190.05980 137.6
[M]+ 169.08458 135.1
[M]- 169.08568 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.