CID 3677

Mephentermine

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CC(C)(CC1=CC=CC=C1)NC

InChI

InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3

InChIKey

RXQCGGRTAILOIN-UHFFFAOYSA-N

Compound name

N,2-dimethyl-1-phenylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 274
References: 3476
Patents: 163.1361 Da
Monoisotopic Mass: 2.4
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]+	164.14338	137.1
[M+Na]+	186.12532	143.3
[M-H]-	162.12882	140.6
[M+NH4]+	181.16992	157.8
[M+K]+	202.09926	141.3
[M+H-H2O]+	146.13336	131.6
[M+HCOO]-	208.13430	160.5
[M+CH3COO]-	222.14995	182.6
[M+Na-2H]-	184.11077	145.2
[M]+	163.13555	136.6
[M]-	163.13665	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe