CID 22276

Phenpromethamine

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CC(CNC)C1=CC=CC=C1

InChI

InChI=1S/C10H15N/c1-9(8-11-2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3

InChIKey

AUFSOOYCQYDGES-UHFFFAOYSA-N

Compound name

N-methyl-2-phenylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 520
Patents: 149.12045 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]+	150.12773	133.4
[M+Na]+	172.10967	145.6
[M+NH4]+	167.15427	142.9
[M+K]+	188.08361	138.4
[M-H]-	148.11317	136.9
[M+Na-2H]-	170.09512	141.3
[M]+	149.11990	136.1
[M]-	149.12100	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe