CID 53401908

155681-21-3

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

C1CC(N(C1)CC(=O)O)CO

InChI

InChI=1S/C7H13NO3/c9-5-6-2-1-3-8(6)4-7(10)11/h6,9H,1-5H2,(H,10,11)

InChIKey

JLVXBPBNYIMTTB-UHFFFAOYSA-N

Compound name

2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 159.08954 Da
Monoisotopic Mass: -2.6
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]+	160.09682	134.6
[M+Na]+	182.07876	140.6
[M-H]-	158.08226	133.8
[M+NH4]+	177.12336	154.3
[M+K]+	198.05270	139.4
[M+H-H2O]+	142.08680	129.0
[M+HCOO]-	204.08774	153.1
[M+CH3COO]-	218.10339	170.7
[M+Na-2H]-	180.06421	136.6
[M]+	159.08899	131.6
[M]-	159.09009	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe