CID 103412

65570-20-9

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CCCCNC1=CC=CC=C1OC

InChI

InChI=1S/C11H17NO/c1-3-4-9-12-10-7-5-6-8-11(10)13-2/h5-8,12H,3-4,9H2,1-2H3

InChIKey

KLBGDUZWAJNQRX-UHFFFAOYSA-N

Compound name

N-butyl-2-methoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 179.13101 Da
Monoisotopic Mass: 2.8
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]+	180.138286	140.0
[M+Na]+	202.120228	146.6
[M-H]-	178.123734	143.5
[M+NH4]+	197.164833	160.1
[M+K]+	218.094168	144.7
[M+H-H2O]+	162.128270	133.8
[M+HCOO]-	224.129211	165.2
[M+CH3COO]-	238.144861	185.4
[M+Na-2H]-	200.105676	146.8
[M]+	179.13046142	141.7
[M]-	179.13155858	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe