CID 84648632

2402830-82-2

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

C1CC(C2(C1C2)C(=O)O)N

InChI

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

InChIKey

DTOWQZGGSUAJRM-UHFFFAOYSA-N

Compound name

2-aminobicyclo[3.1.0]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]+	142.08626	126.9
[M+Na]+	164.06820	136.5
[M-H]-	140.07170	130.8
[M+NH4]+	159.11280	147.1
[M+K]+	180.04214	133.8
[M+H-H2O]+	124.07624	123.5
[M+HCOO]-	186.07718	147.7
[M+CH3COO]-	200.09283	176.1
[M+Na-2H]-	162.05365	132.3
[M]+	141.07843	126.8
[M]-	141.07953	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe