CID 4771

Phentermine

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

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

InChI

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

InChIKey

DHHVAGZRUROJKS-UHFFFAOYSA-N

Compound name

2-methyl-1-phenylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 1048
References: 50962
Patents: 149.12045 Da
Monoisotopic Mass: 1.9
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	133.0
[M+Na]+	172.10967	139.7
[M-H]-	148.11317	136.2
[M+NH4]+	167.15427	153.9
[M+K]+	188.08361	137.5
[M+H-H2O]+	132.11771	127.7
[M+HCOO]-	194.11865	156.1
[M+CH3COO]-	208.13430	178.8
[M+Na-2H]-	170.09512	140.6
[M]+	149.11990	131.1
[M]-	149.12100	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe