CID 11008555

3-hydroxy-4-methyl-l-proline

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

C[C@H]1CN[C@@H]([C@H]1O)C(=O)O

InChI

InChI=1S/C6H11NO3/c1-3-2-7-4(5(3)8)6(9)10/h3-5,7-8H,2H2,1H3,(H,9,10)/t3-,4-,5-/m0/s1

InChIKey

COHFSKKGVFGDFH-YUPRTTJUSA-N

Compound name

(2S,3S,4S)-3-hydroxy-4-methylpyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 5
Patents: 145.0739 Da
Monoisotopic Mass: -2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	146.08118	130.5
[M+Na]+	168.06312	137.4
[M-H]-	144.06662	128.7
[M+NH4]+	163.10772	150.3
[M+K]+	184.03706	135.5
[M+H-H2O]+	128.07116	125.6
[M+HCOO]-	190.07210	147.7
[M+CH3COO]-	204.08775	166.4
[M+Na-2H]-	166.04857	131.8
[M]+	145.07335	125.6
[M]-	145.07445	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe