CID 57678438

3,5-dimethoxy-4-(propan-2-yl)aniline hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

CC(C)C1=C(C=C(C=C1OC)N)OC

InChI

InChI=1S/C11H17NO2/c1-7(2)11-9(13-3)5-8(12)6-10(11)14-4/h5-7H,12H2,1-4H3

InChIKey

OLLLZDJQQIVQKZ-UHFFFAOYSA-N

Compound name

3,5-dimethoxy-4-propan-2-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 195.12593 Da
Monoisotopic Mass: 2.3
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]+	196.133206	143.4
[M+Na]+	218.115148	151.6
[M-H]-	194.118654	147.2
[M+NH4]+	213.159753	163.1
[M+K]+	234.089088	150.4
[M+H-H2O]+	178.123190	137.5
[M+HCOO]-	240.124131	167.1
[M+CH3COO]-	254.139781	190.0
[M+Na-2H]-	216.100596	146.4
[M]+	195.12538142	145.7
[M]-	195.12647858	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe