CID 4182375

14387-58-7

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

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

InChI

InChI=1S/C12H17NO/c1-3-9(2)11(12(13)14)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H2,13,14)

InChIKey

JZWSIXOLZMBMNT-UHFFFAOYSA-N

Compound name

3-methyl-2-phenylpentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 191.13101 Da
Monoisotopic Mass: 2.6
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]+	192.13829	145.8
[M+Na]+	214.12023	150.5
[M-H]-	190.12373	148.4
[M+NH4]+	209.16483	164.4
[M+K]+	230.09417	148.8
[M+H-H2O]+	174.12827	139.4
[M+HCOO]-	236.12921	167.1
[M+CH3COO]-	250.14486	188.3
[M+Na-2H]-	212.10568	147.7
[M]+	191.13046	143.8
[M]-	191.13156	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe