CID 15946564

646055-94-9

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

C1CN2CCC1C2C(=O)O

InChI

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

InChIKey

BSOXXQCXLBTRBM-UHFFFAOYSA-N

Compound name

1-azabicyclo[2.2.1]heptane-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 141.07898 Da
Monoisotopic Mass: -1.9
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	129.3
[M+Na]+	164.06820	137.0
[M+NH4]+	159.11280	137.7
[M+K]+	180.04214	136.5
[M-H]-	140.07170	127.8
[M+Na-2H]-	162.05365	129.8
[M]+	141.07843	129.5
[M]-	141.07953	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe