CID 4655

Pholedrine

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

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

InChI

InChI=1S/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3

InChIKey

SBUQZKJEOOQSBV-UHFFFAOYSA-N

Compound name

4-[2-(methylamino)propyl]phenol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 139
References: 5300
Patents: 165.11537 Da
Monoisotopic Mass: 1.7
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]+	166.122646	136.5
[M+Na]+	188.104588	142.9
[M-H]-	164.108094	138.9
[M+NH4]+	183.149193	156.4
[M+K]+	204.078528	140.8
[M+H-H2O]+	148.112630	130.8
[M+HCOO]-	210.113571	159.5
[M+CH3COO]-	224.129221	180.5
[M+Na-2H]-	186.090036	142.0
[M]+	165.11482142	135.3
[M]-	165.11591858	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe