CID 42032

4-chloro-6-ethyl-alpha-(methylimino)-o-cresol

Structural Information

Molecular Formula

C₁₀H₁₂ClNO

SMILES

CCC1=C(C(=CC(=C1)Cl)C=NC)O

InChI

InChI=1S/C10H12ClNO/c1-3-7-4-9(11)5-8(6-12-2)10(7)13/h4-6,13H,3H2,1-2H3

InChIKey

NSHQJZVHLDYCLF-UHFFFAOYSA-N

Compound name

4-chloro-2-ethyl-6-(methyliminomethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.06075 Da
Monoisotopic Mass: 2.6
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]+	198.068026	140.2
[M+Na]+	220.049968	150.4
[M-H]-	196.053474	144.5
[M+NH4]+	215.094573	161.1
[M+K]+	236.023908	146.1
[M+H-H2O]+	180.058010	135.7
[M+HCOO]-	242.058951	161.4
[M+CH3COO]-	256.074601	186.9
[M+Na-2H]-	218.035416	145.6
[M]+	197.06020142	143.6
[M]-	197.06129858	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.