CID 71709485

2361674-62-4

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

C1C2CC3CC1CC(C2)C3(CC(=O)O)N

InChI

InChI=1S/C12H19NO2/c13-12(6-11(14)15)9-2-7-1-8(4-9)5-10(12)3-7/h7-10H,1-6,13H2,(H,14,15)

InChIKey

VOWMKAWURROZJG-UHFFFAOYSA-N

Compound name

2-(2-amino-2-adamantyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 209.14159 Da
Monoisotopic Mass: -0.7
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]+	210.14887	149.8
[M+Na]+	232.13081	151.8
[M-H]-	208.13431	143.4
[M+NH4]+	227.17541	174.3
[M+K]+	248.10475	148.8
[M+H-H2O]+	192.13885	144.8
[M+HCOO]-	254.13979	155.4
[M+CH3COO]-	268.15544	157.8
[M+Na-2H]-	230.11626	158.8
[M]+	209.14104	147.9
[M]-	209.14214	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe