CID 27869

16413-75-5

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

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

InChI

InChI=1S/C12H17NO2/c1-9(13(3)10(2)14)12(15)11-7-5-4-6-8-11/h4-9,12,15H,1-3H3

InChIKey

ZZGMTCKULVMTDB-UHFFFAOYSA-N

Compound name

N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 24
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]+	208.13321	148.5
[M+Na]+	230.11515	153.0
[M-H]-	206.11865	151.8
[M+NH4]+	225.15975	166.7
[M+K]+	246.08909	152.8
[M+H-H2O]+	190.12319	142.0
[M+HCOO]-	252.12413	169.7
[M+CH3COO]-	266.13978	191.3
[M+Na-2H]-	228.10060	150.3
[M]+	207.12538	148.3
[M]-	207.12648	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe