CID 177798930

1-(hydroxymethyl)-2-azabicyclo[2.2.1]heptane-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

C1CC2(CC1(CN2)C(=O)O)CO

InChI

InChI=1S/C8H13NO3/c10-5-8-2-1-7(3-8,4-9-8)6(11)12/h9-10H,1-5H2,(H,11,12)

InChIKey

WXKXHVKFFNBGPG-UHFFFAOYSA-N

Compound name

1-(hydroxymethyl)-2-azabicyclo[2.2.1]heptane-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 171.08954 Da
Monoisotopic Mass: -3.3
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]+	172.096816	139.3
[M+Na]+	194.078758	146.3
[M-H]-	170.082264	136.9
[M+NH4]+	189.123363	164.9
[M+K]+	210.052698	143.5
[M+H-H2O]+	154.086800	136.1
[M+HCOO]-	216.087741	154.9
[M+CH3COO]-	230.103391	169.0
[M+Na-2H]-	192.064206	144.1
[M]+	171.08899142	135.5
[M]-	171.09008858	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.