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]+ 186.08733 139.2
[M+Na]+ 208.06927 146.5
[M+NH4]+ 203.11387 143.7
[M+K]+ 224.04321 146.3
[M-H]- 184.07277 136.4
[M+Na-2H]- 206.05472 140.9
[M]+ 185.07950 138.7
[M]- 185.08060 138.7
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.