CID 21866552

232281-72-0

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

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

InChI

InChI=1S/C9H17NO2/c10-8(9(11)12)7-5-3-1-2-4-6-7/h7-8H,1-6,10H2,(H,11,12)

InChIKey

GMLQOIMQMLOTNY-UHFFFAOYSA-N

Compound name

2-amino-2-cycloheptylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 171.12593 Da
Monoisotopic Mass: -0.5
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]+	172.13321	135.6
[M+Na]+	194.11515	141.2
[M+NH4]+	189.15975	142.1
[M+K]+	210.08909	139.3
[M-H]-	170.11865	135.9
[M+Na-2H]-	192.10060	138.6
[M]+	171.12538	136.0
[M]-	171.12648	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe