CID 155822347

Methyl (2r)-2-amino-3-(5-hydroxy-1h-pyrazol-4-yl)propanoate dihydrochloride

Structural Information

Molecular Formula
C7H11N3O3
SMILES
COC(=O)[C@@H](CC1=CNNC1=O)N
InChI
InChI=1S/C7H11N3O3/c1-13-7(12)5(8)2-4-3-9-10-6(4)11/h3,5H,2,8H2,1H3,(H2,9,10,11)/t5-/m1/s1
InChIKey
LLGHIXICGJDRMU-RXMQYKEDSA-N
Compound name
methyl (2R)-2-amino-3-(3-oxo-1,2-dihydropyrazol-4-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.08005 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.087326 138.7
[M+Na]+ 208.069268 145.9
[M-H]- 184.072774 136.9
[M+NH4]+ 203.113873 155.5
[M+K]+ 224.043208 143.7
[M+H-H2O]+ 168.077310 131.8
[M+HCOO]- 230.078251 158.5
[M+CH3COO]- 244.093901 176.8
[M+Na-2H]- 206.054716 140.7
[M]+ 185.07950142 135.9
[M]- 185.08059858 135.9
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.