CID 365221

3-aminoadamantane-1-carboxylic acid

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

C1C2CC3(CC1CC(C2)(C3)N)C(=O)O

InChI

InChI=1S/C11H17NO2/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6,12H2,(H,13,14)

InChIKey

ZBPOKYGSYKBAAW-UHFFFAOYSA-N

Compound name

3-aminoadamantane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 86
Patents: 195.12593 Da
Monoisotopic Mass: -1.6
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]+	196.13321	146.6
[M+Na]+	218.11515	149.6
[M-H]-	194.11865	140.5
[M+NH4]+	213.15975	173.4
[M+K]+	234.08909	146.4
[M+H-H2O]+	178.12319	141.4
[M+HCOO]-	240.12413	152.6
[M+CH3COO]-	254.13978	155.2
[M+Na-2H]-	216.10060	157.5
[M]+	195.12538	144.6
[M]-	195.12648	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe