CID 657469

Mls000028136

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CC(=O)N[C@H]1C[C@@H]1C2=CC=CC=C2

InChI

InChI=1S/C11H13NO/c1-8(13)12-11-7-10(11)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3,(H,12,13)/t10-,11+/m1/s1

InChIKey

OKNYZIGDRLPEEJ-MNOVXSKESA-N

Compound name

N-[(1S,2R)-2-phenylcyclopropyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 9
Patents: 175.09972 Da
Monoisotopic Mass: 1.4
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]+	176.106996	134.9
[M+Na]+	198.088938	143.6
[M-H]-	174.092444	142.8
[M+NH4]+	193.133543	150.2
[M+K]+	214.062878	140.6
[M+H-H2O]+	158.096980	128.4
[M+HCOO]-	220.097921	160.0
[M+CH3COO]-	234.113571	186.3
[M+Na-2H]-	196.074386	141.3
[M]+	175.09917142	136.5
[M]-	175.10026858	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.