CID 3022047

M-toluamide, 2-butoxy-

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CCCCOC1=C(C=CC=C1C(=O)N)C

InChI

InChI=1S/C12H17NO2/c1-3-4-8-15-11-9(2)6-5-7-10(11)12(13)14/h5-7H,3-4,8H2,1-2H3,(H2,13,14)

InChIKey

YHXWYZCRBYXFQI-UHFFFAOYSA-N

Compound name

2-butoxy-3-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.12593 Da
Monoisotopic Mass: 2.4
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]+	208.13321	147.2
[M+Na]+	230.11515	154.3
[M-H]-	206.11865	150.4
[M+NH4]+	225.15975	166.0
[M+K]+	246.08909	152.2
[M+H-H2O]+	190.12319	140.9
[M+HCOO]-	252.12413	170.8
[M+CH3COO]-	266.13978	190.9
[M+Na-2H]-	228.10060	150.3
[M]+	207.12538	148.7
[M]-	207.12648	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe