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 138.7
[M+Na]+ 208.06927 145.9
[M-H]- 184.07277 136.9
[M+NH4]+ 203.11387 155.5
[M+K]+ 224.04321 143.7
[M+H-H2O]+ 168.07731 131.8
[M+HCOO]- 230.07825 158.5
[M+CH3COO]- 244.09390 176.8
[M+Na-2H]- 206.05472 140.7
[M]+ 185.07950 135.9
[M]- 185.08060 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.