CID 69403016

2044712-62-9

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

CC1(CC(CN1C)O)C(=O)O

InChI

InChI=1S/C7H13NO3/c1-7(6(10)11)3-5(9)4-8(7)2/h5,9H,3-4H2,1-2H3,(H,10,11)

InChIKey

HZHAYCIWJCYRQI-UHFFFAOYSA-N

Compound name

4-hydroxy-1,2-dimethylpyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 159.08954 Da
Monoisotopic Mass: -2.7
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]+	160.09682	132.5
[M+Na]+	182.07876	140.4
[M-H]-	158.08226	132.4
[M+NH4]+	177.12336	154.6
[M+K]+	198.05270	139.3
[M+H-H2O]+	142.08680	128.5
[M+HCOO]-	204.08774	151.0
[M+CH3COO]-	218.10339	171.5
[M+Na-2H]-	180.06421	135.3
[M]+	159.08899	130.3
[M]-	159.09009	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe