CID 45082695

Methyl 2-amino-3-(1h-pyrazol-1-yl)propanoate dihydrochloride

Structural Information

Molecular Formula
C7H11N3O2
SMILES
COC(=O)C(CN1C=CC=N1)N
InChI
InChI=1S/C7H11N3O2/c1-12-7(11)6(8)5-10-4-2-3-9-10/h2-4,6H,5,8H2,1H3
InChIKey
CBKIBRUHOBWZGS-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-pyrazol-1-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.08513 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09241 135.7
[M+Na]+ 192.07435 142.6
[M-H]- 168.07785 136.2
[M+NH4]+ 187.11895 154.4
[M+K]+ 208.04829 142.3
[M+H-H2O]+ 152.08239 128.1
[M+HCOO]- 214.08333 158.1
[M+CH3COO]- 228.09898 179.1
[M+Na-2H]- 190.05980 139.4
[M]+ 169.08458 135.6
[M]- 169.08568 135.6
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.