CID 128930

Hphca

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CCC(CCC(=O)N)(C1=CC=CC=C1)O

InChI

InChI=1S/C12H17NO2/c1-2-12(15,9-8-11(13)14)10-6-4-3-5-7-10/h3-7,15H,2,8-9H2,1H3,(H2,13,14)

InChIKey

BBCCWJBOCIVAJN-UHFFFAOYSA-N

Compound name

4-hydroxy-4-phenylhexanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 50
References: 9
Patents: 207.12593 Da
Monoisotopic Mass: 1.0
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]+	208.133206	148.3
[M+Na]+	230.115148	153.5
[M-H]-	206.118654	149.6
[M+NH4]+	225.159753	165.8
[M+K]+	246.089088	150.8
[M+H-H2O]+	190.123190	142.4
[M+HCOO]-	252.124131	168.8
[M+CH3COO]-	266.139781	186.3
[M+Na-2H]-	228.100596	153.0
[M]+	207.12538142	146.6
[M]-	207.12647858	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe