CID 39872459

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

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

C1C[C@@]2(C[C@H]1NC2)C(=O)O

InChI

InChI=1S/C7H11NO2/c9-6(10)7-2-1-5(3-7)8-4-7/h5,8H,1-4H2,(H,9,10)/t5-,7-/m0/s1

InChIKey

GSEADFBJEDRQEZ-FSPLSTOPSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 141.07898 Da
Monoisotopic Mass: -2.4
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]+	142.086256	131.7
[M+Na]+	164.068198	138.5
[M-H]-	140.071704	130.5
[M+NH4]+	159.112803	157.2
[M+K]+	180.042138	136.4
[M+H-H2O]+	124.076240	127.7
[M+HCOO]-	186.077181	148.9
[M+CH3COO]-	200.092831	166.6
[M+Na-2H]-	162.053646	136.0
[M]+	141.07843142	127.4
[M]-	141.07952858	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.