CID 4196607

142031-46-7

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CCCNC1=CC=CC(=C1)C

InChI

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

InChIKey

IUNVPXVTJRNCEK-UHFFFAOYSA-N

Compound name

3-methyl-N-propylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 193
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

literature stripe

Patent stripe

patents stripe