CID 6454512

N-isopropyl-2,3-xylidine

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

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

InChI

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

InChIKey

IUEHLAXLHVYGLI-UHFFFAOYSA-N

Compound name

2,3-dimethyl-N-propan-2-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 163.1361 Da
Monoisotopic Mass: 3.4
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]+	164.143376	136.6
[M+Na]+	186.125318	144.0
[M-H]-	162.128824	140.6
[M+NH4]+	181.169923	157.7
[M+K]+	202.099258	142.1
[M+H-H2O]+	146.133360	131.0
[M+HCOO]-	208.134301	160.6
[M+CH3COO]-	222.149951	185.4
[M+Na-2H]-	184.110766	141.5
[M]+	163.13555142	136.6
[M]-	163.13664858	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe