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]+ 161.09208 133.8
[M+Na]+ 183.07402 139.8
[M-H]- 159.07752 132.1
[M+NH4]+ 178.11862 152.7
[M+K]+ 199.04796 137.9
[M+H-H2O]+ 143.08206 128.4
[M+HCOO]- 205.08300 152.1
[M+CH3COO]- 219.09865 171.6
[M+Na-2H]- 181.05947 135.5
[M]+ 160.08425 128.2
[M]- 160.08535 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.