CID 83815148

2058326-37-5

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

C1C2C1CN(C2)CC(=O)O

InChI

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

InChIKey

XCNKJGVDWWSZIE-UHFFFAOYSA-N

Compound name

2-(3-azabicyclo[3.1.0]hexan-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 141.07898 Da
Monoisotopic Mass: -2.0
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	131.9
[M+Na]+	164.068198	141.5
[M-H]-	140.071704	134.5
[M+NH4]+	159.112803	149.4
[M+K]+	180.042138	138.4
[M+H-H2O]+	124.076240	126.3
[M+HCOO]-	186.077181	151.5
[M+CH3COO]-	200.092831	175.0
[M+Na-2H]-	162.053646	136.2
[M]+	141.07843142	133.3
[M]-	141.07952858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe