CID 4762

Phenmetrazine

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC1C(OCCN1)C2=CC=CC=C2

InChI

InChI=1S/C11H15NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3

InChIKey

OOBHFESNSZDWIU-UHFFFAOYSA-N

Compound name

3-methyl-2-phenylmorpholine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 507
References: 11598
Patents: 177.11537 Da
Monoisotopic Mass: 1.4
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]+	178.12265	139.1
[M+Na]+	200.10459	144.6
[M-H]-	176.10809	143.0
[M+NH4]+	195.14919	155.6
[M+K]+	216.07853	142.5
[M+H-H2O]+	160.11263	131.7
[M+HCOO]-	222.11357	156.7
[M+CH3COO]-	236.12922	150.9
[M+Na-2H]-	198.09004	145.4
[M]+	177.11482	133.9
[M]-	177.11592	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe