CID 125511684

2307733-71-5

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

C1[C@H]2C[C@]2(C[C@@H]1N)C(=O)O

InChI

InChI=1S/C7H11NO2/c8-5-1-4-2-7(4,3-5)6(9)10/h4-5H,1-3,8H2,(H,9,10)/t4-,5+,7+/m0/s1

InChIKey

RGJTZVOPFAIPNJ-HBPOCXIASA-N

Compound name

(1R,3R,5R)-3-aminobicyclo[3.1.0]hexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 141.07898 Da
Monoisotopic Mass: -2.7
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	126.9
[M+Na]+	164.068198	136.5
[M-H]-	140.071704	130.8
[M+NH4]+	159.112803	147.1
[M+K]+	180.042138	133.8
[M+H-H2O]+	124.076240	123.5
[M+HCOO]-	186.077181	147.7
[M+CH3COO]-	200.092831	176.1
[M+Na-2H]-	162.053646	132.3
[M]+	141.07843142	126.8
[M]-	141.07952858	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.