CID 6992702

33996-30-4

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

CCOC(=O)[C@H]1C[C@H](CN1)O

InChI

InChI=1S/C7H13NO3/c1-2-11-7(10)6-3-5(9)4-8-6/h5-6,8-9H,2-4H2,1H3/t5-,6-/m1/s1

InChIKey

JMHQESARJMGVCZ-PHDIDXHHSA-N

Compound name

ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 249
Patents: 159.08954 Da
Monoisotopic Mass: -0.4
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]+	160.09682	134.9
[M+Na]+	182.07876	141.0
[M-H]-	158.08226	134.1
[M+NH4]+	177.12336	154.7
[M+K]+	198.05270	139.7
[M+H-H2O]+	142.08680	129.3
[M+HCOO]-	204.08774	153.4
[M+CH3COO]-	218.10339	170.0
[M+Na-2H]-	180.06421	136.9
[M]+	159.08899	131.8
[M]-	159.09009	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe