CID 5289579

(3r,5r)-5-amino-3-methyl-d-proline

Structural Information

Molecular Formula
C6H12N2O2
SMILES
C[C@@H]1C[C@@H](N[C@H]1C(=O)O)N
InChI
InChI=1S/C6H12N2O2/c1-3-2-4(7)8-5(3)6(9)10/h3-5,8H,2,7H2,1H3,(H,9,10)/t3-,4-,5-/m1/s1
InChIKey
ZELPFFKOULVLMW-UOWFLXDJSA-N
Compound name
(2R,3R,5R)-5-amino-3-methylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.08987 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.09715 131.1
[M+Na]+ 167.07909 137.7
[M-H]- 143.08259 130.3
[M+NH4]+ 162.12369 151.2
[M+K]+ 183.05303 135.8
[M+H-H2O]+ 127.08713 125.7
[M+HCOO]- 189.08807 150.1
[M+CH3COO]- 203.10372 171.2
[M+Na-2H]- 165.06454 132.2
[M]+ 144.08932 124.9
[M]- 144.09042 124.9
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.