CID 60198109

1032564-18-3

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

C1C2CC3(CC1CC(C2)(C3)O)NCC(=O)O

InChI

InChI=1S/C12H19NO3/c14-10(15)6-13-11-2-8-1-9(3-11)5-12(16,4-8)7-11/h8-9,13,16H,1-7H2,(H,14,15)

InChIKey

FSZTVAMKEHAGGP-UHFFFAOYSA-N

Compound name

2-[(3-hydroxy-1-adamantyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 20
Patents: 225.13649 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]+	226.14377	152.5
[M+Na]+	248.12571	154.5
[M-H]-	224.12921	145.1
[M+NH4]+	243.17031	177.6
[M+K]+	264.09965	151.4
[M+H-H2O]+	208.13375	147.4
[M+HCOO]-	270.13469	157.4
[M+CH3COO]-	284.15034	160.1
[M+Na-2H]-	246.11116	164.0
[M]+	225.13594	151.5
[M]-	225.13704	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe