CID 19105860

N-methyl-3-propylaniline

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CCCC1=CC(=CC=C1)NC

InChI

InChI=1S/C10H15N/c1-3-5-9-6-4-7-10(8-9)11-2/h4,6-8,11H,3,5H2,1-2H3

InChIKey

XACPPCKWISRXFT-UHFFFAOYSA-N

Compound name

N-methyl-3-propylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 149.12045 Da
Monoisotopic Mass: 3.2
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]+	150.12773	132.5
[M+Na]+	172.10967	145.5
[M+NH4]+	167.15427	142.2
[M+K]+	188.08361	137.7
[M-H]-	148.11317	136.3
[M+Na-2H]-	170.09512	140.6
[M]+	149.11990	135.5
[M]-	149.12100	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe