CID 108450

60388-37-6

Structural Information

Molecular Formula

C₁₂H₁₉N

SMILES

CCC(C)NC1=C(C=CC(=C1)C)C

InChI

InChI=1S/C12H19N/c1-5-11(4)13-12-8-9(2)6-7-10(12)3/h6-8,11,13H,5H2,1-4H3

InChIKey

CYYDUHXFEIQMAF-UHFFFAOYSA-N

Compound name

N-butan-2-yl-2,5-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 177.15175 Da
Monoisotopic Mass: 4.0
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]+	178.15903	141.3
[M+Na]+	200.14097	148.3
[M-H]-	176.14447	145.1
[M+NH4]+	195.18557	161.8
[M+K]+	216.11491	146.1
[M+H-H2O]+	160.14901	135.5
[M+HCOO]-	222.14995	164.9
[M+CH3COO]-	236.16560	188.4
[M+Na-2H]-	198.12642	145.6
[M]+	177.15120	141.7
[M]-	177.15230	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe