CID 28308333

3-chloro-4-methyl-n-propylaniline hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄ClN

SMILES

CCCNC1=CC(=C(C=C1)C)Cl

InChI

InChI=1S/C10H14ClN/c1-3-6-12-9-5-4-8(2)10(11)7-9/h4-5,7,12H,3,6H2,1-2H3

InChIKey

JOJSLNVLFPWDCE-UHFFFAOYSA-N

Compound name

3-chloro-4-methyl-N-propylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.08148 Da
Monoisotopic Mass: 4.3
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]+	184.088756	138.6
[M+Na]+	206.070698	147.4
[M-H]-	182.074204	142.4
[M+NH4]+	201.115303	159.8
[M+K]+	222.044638	143.2
[M+H-H2O]+	166.078740	133.9
[M+HCOO]-	228.079681	159.3
[M+CH3COO]-	242.095331	185.3
[M+Na-2H]-	204.056146	144.7
[M]+	183.08093142	140.9
[M]-	183.08202858	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe