CID 131985

2,4,5-trihydroxymethamphetamine

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

C[C@@H](CC1=CC(=C(C=C1O)O)O)NC

InChI

InChI=1S/C10H15NO3/c1-6(11-2)3-7-4-9(13)10(14)5-8(7)12/h4-6,11-14H,3H2,1-2H3/t6-/m0/s1

InChIKey

YTALUFDCWBLHNU-LURJTMIESA-N

Compound name

5-[(2S)-2-(methylamino)propyl]benzene-1,2,4-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 10
Patents: 197.1052 Da
Monoisotopic Mass: 1.1
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]+	198.112476	143.1
[M+Na]+	220.094418	150.2
[M-H]-	196.097924	143.3
[M+NH4]+	215.139023	160.6
[M+K]+	236.068358	147.5
[M+H-H2O]+	180.102460	137.8
[M+HCOO]-	242.103401	163.4
[M+CH3COO]-	256.119051	182.4
[M+Na-2H]-	218.079866	146.0
[M]+	197.10465142	141.7
[M]-	197.10574858	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe