CID 49866701

5-hydroxyamino-3-methyl-pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C6H12N2O3
SMILES
C[C@@H]1C[C@H](N[C@H]1C(=O)O)NO
InChI
InChI=1S/C6H12N2O3/c1-3-2-4(8-11)7-5(3)6(9)10/h3-5,7-8,11H,2H2,1H3,(H,9,10)/t3-,4-,5-/m1/s1
InChIKey
PEFGUPQPFCDBPY-UOWFLXDJSA-N
Compound name
(2R,3R,5R)-5-(hydroxyamino)-3-methylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.0848 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.092076 133.8
[M+Na]+ 183.074018 139.8
[M-H]- 159.077524 132.1
[M+NH4]+ 178.118623 152.7
[M+K]+ 199.047958 137.9
[M+H-H2O]+ 143.082060 128.4
[M+HCOO]- 205.083001 152.1
[M+CH3COO]- 219.098651 171.6
[M+Na-2H]- 181.059466 135.5
[M]+ 160.08425142 128.2
[M]- 160.08534858 128.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.