CID 122155827

4-methyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

CC12CC(C1)(NC2)C(=O)O

InChI

InChI=1S/C7H11NO2/c1-6-2-7(3-6,5(9)10)8-4-6/h8H,2-4H2,1H3,(H,9,10)

InChIKey

PBBIAPCMFONELJ-UHFFFAOYSA-N

Compound name

4-methyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 141.07898 Da
Monoisotopic Mass: -2.1
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	141.0
[M+Na]+	164.068198	147.6
[M-H]-	140.071704	138.8
[M+NH4]+	159.112803	164.1
[M+K]+	180.042138	147.7
[M+H-H2O]+	124.076240	135.0
[M+HCOO]-	186.077181	155.2
[M+CH3COO]-	200.092831	173.6
[M+Na-2H]-	162.053646	148.2
[M]+	141.07843142	151.2
[M]-	141.07952858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe