CID 84072845

2344677-99-0

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

COC(=O)C1(CCCN1)CO

InChI

InChI=1S/C7H13NO3/c1-11-6(10)7(5-9)3-2-4-8-7/h8-9H,2-5H2,1H3

InChIKey

QSZPPWBLNJFGIT-UHFFFAOYSA-N

Compound name

methyl 2-(hydroxymethyl)pyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 159.08954 Da
Monoisotopic Mass: -0.6
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]+	160.096816	134.8
[M+Na]+	182.078758	140.9
[M-H]-	158.082264	134.0
[M+NH4]+	177.123363	156.4
[M+K]+	198.052698	139.9
[M+H-H2O]+	142.086800	130.0
[M+HCOO]-	204.087741	153.3
[M+CH3COO]-	218.103391	168.4
[M+Na-2H]-	180.064206	138.7
[M]+	159.08899142	131.7
[M]-	159.09008858	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe