CID 146155919

2416218-72-7

Structural Information

Molecular Formula
C8H13N3O3
SMILES
CN1C(=O)C(=CN1)C[C@H](C(=O)OC)N
InChI
InChI=1S/C8H13N3O3/c1-11-7(12)5(4-10-11)3-6(9)8(13)14-2/h4,6,10H,3,9H2,1-2H3/t6-/m1/s1
InChIKey
SLXALVAOWRDABI-ZCFIWIBFSA-N
Compound name
methyl (2R)-2-amino-3-(2-methyl-3-oxo-1H-pyrazol-4-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.09569 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10297 142.4
[M+Na]+ 222.08491 150.5
[M-H]- 198.08841 142.2
[M+NH4]+ 217.12951 159.7
[M+K]+ 238.05885 148.9
[M+H-H2O]+ 182.09295 135.4
[M+HCOO]- 244.09389 163.3
[M+CH3COO]- 258.10954 183.4
[M+Na-2H]- 220.07036 143.7
[M]+ 199.09514 142.2
[M]- 199.09624 142.2
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.