CID 431097

Rimiterol

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

C1CCNC(C1)C(C2=CC(=C(C=C2)O)O)O

InChI

InChI=1S/C12H17NO3/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9/h4-5,7,9,12-16H,1-3,6H2

InChIKey

IYMMESGOJVNCKV-UHFFFAOYSA-N

Compound name

4-[hydroxy(piperidin-2-yl)methyl]benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 37
References: 9019
Patents: 223.12085 Da
Monoisotopic Mass: 0.8
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]+	224.12813	151.2
[M+Na]+	246.11007	161.3
[M+NH4]+	241.15467	157.9
[M+K]+	262.08401	156.9
[M-H]-	222.11357	152.3
[M+Na-2H]-	244.09552	155.7
[M]+	223.12030	152.6
[M]-	223.12140	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe