CID 43225168

2742653-91-2

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CC1=CC(=C(C=C1C)CNC)C

InChI

InChI=1S/C11H17N/c1-8-5-10(3)11(7-12-4)6-9(8)2/h5-6,12H,7H2,1-4H3

InChIKey

VVXIJEQUGIMYQW-UHFFFAOYSA-N

Compound name

N-methyl-1-(2,4,5-trimethylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 163.1361 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]+	164.14338	135.7
[M+Na]+	186.12532	144.3
[M-H]-	162.12882	140.0
[M+NH4]+	181.16992	157.2
[M+K]+	202.09926	142.0
[M+H-H2O]+	146.13336	130.3
[M+HCOO]-	208.13430	160.6
[M+CH3COO]-	222.14995	185.7
[M+Na-2H]-	184.11077	141.1
[M]+	163.13555	136.8
[M]-	163.13665	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe