CID 23378

1-aminocycloheptanecarboxylic acid

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

C1CCCC(CC1)(C(=O)O)N

InChI

InChI=1S/C8H15NO2/c9-8(7(10)11)5-3-1-2-4-6-8/h1-6,9H2,(H,10,11)

InChIKey

IINRZEIPFQHEAP-UHFFFAOYSA-N

Compound name

1-aminocycloheptane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 2169
Patents: 157.11028 Da
Monoisotopic Mass: -1.3
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]+	158.11756	129.8
[M+Na]+	180.09950	136.1
[M+NH4]+	175.14410	137.9
[M+K]+	196.07344	132.2
[M-H]-	156.10300	130.4
[M+Na-2H]-	178.08495	135.1
[M]+	157.10973	130.6
[M]-	157.11083	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe