CID 16051592

2,5-dimethyl-n-(propan-2-yl)aniline

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CC1=CC(=C(C=C1)C)NC(C)C

InChI

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

InChIKey

OERDRTFZTDBHHT-UHFFFAOYSA-N

Compound name

2,5-dimethyl-N-propan-2-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 163.1361 Da
Monoisotopic Mass: 3.1
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	136.6
[M+Na]+	186.12532	144.0
[M-H]-	162.12882	140.6
[M+NH4]+	181.16992	157.7
[M+K]+	202.09926	142.1
[M+H-H2O]+	146.13336	131.0
[M+HCOO]-	208.13430	160.6
[M+CH3COO]-	222.14995	185.4
[M+Na-2H]-	184.11077	141.5
[M]+	163.13555	136.6
[M]-	163.13665	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe