CID 170705

N-formylmethamphetamine

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC(CC1=CC=CC=C1)N(C)C=O

InChI

InChI=1S/C11H15NO/c1-10(12(2)9-13)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3

InChIKey

GLSMSUZWTDVJMA-UHFFFAOYSA-N

Compound name

N-methyl-N-(1-phenylpropan-2-yl)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 8
Patents: 177.11537 Da
Monoisotopic Mass: 2.1
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]+	178.12265	139.6
[M+Na]+	200.10459	145.5
[M-H]-	176.10809	144.4
[M+NH4]+	195.14919	160.0
[M+K]+	216.07853	144.8
[M+H-H2O]+	160.11263	133.1
[M+HCOO]-	222.11357	164.5
[M+CH3COO]-	236.12922	187.7
[M+Na-2H]-	198.09004	145.1
[M]+	177.11482	140.9
[M]-	177.11592	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe