CID 82418118

2094939-78-1

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

C1CNCC2C1C2C(=O)O

InChI

InChI=1S/C7H11NO2/c9-7(10)6-4-1-2-8-3-5(4)6/h4-6,8H,1-3H2,(H,9,10)

InChIKey

ACLOABGXXHOMFW-UHFFFAOYSA-N

Compound name

3-azabicyclo[4.1.0]heptane-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 141.07898 Da
Monoisotopic Mass: -2.5
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	131.5
[M+Na]+	164.06820	139.9
[M-H]-	140.07170	132.6
[M+NH4]+	159.11280	146.6
[M+K]+	180.04214	136.3
[M+H-H2O]+	124.07624	125.8
[M+HCOO]-	186.07718	147.8
[M+CH3COO]-	200.09283	172.9
[M+Na-2H]-	162.05365	136.8
[M]+	141.07843	129.2
[M]-	141.07953	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.