CID 2759247

74817-54-2

Structural Information

Molecular Formula
C6H12N2O3
SMILES
COC(=O)[C@@H](CCC(=O)N)N
InChI
InChI=1S/C6H12N2O3/c1-11-6(10)4(7)2-3-5(8)9/h4H,2-3,7H2,1H3,(H2,8,9)/t4-/m1/s1
InChIKey
GBDRMPRTNVKBAD-SCSAIBSYSA-N
Compound name
methyl (2R)-2,5-diamino-5-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

758
Patents

160.0848 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.092076 135.1
[M+Na]+ 183.074018 140.4
[M-H]- 159.077524 134.4
[M+NH4]+ 178.118623 154.5
[M+K]+ 199.047958 141.1
[M+H-H2O]+ 143.082060 129.4
[M+HCOO]- 205.083001 157.7
[M+CH3COO]- 219.098651 181.9
[M+Na-2H]- 181.059466 136.5
[M]+ 160.08425142 133.5
[M]- 160.08534858 133.5
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

patents stripe