CID 3068125

82965-44-4

Structural Information

Molecular Formula

C₁₀H₁₄ClNO

SMILES

CC1=CC(=CC(=C1O)Cl)CN(C)C

InChI

InChI=1S/C10H14ClNO/c1-7-4-8(6-12(2)3)5-9(11)10(7)13/h4-5,13H,6H2,1-3H3

InChIKey

GRRSSGXAKVJEDK-UHFFFAOYSA-N

Compound name

2-chloro-4-[(dimethylamino)methyl]-6-methylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 199.07639 Da
Monoisotopic Mass: 2.4
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]+	200.083666	141.2
[M+Na]+	222.065608	150.7
[M-H]-	198.069114	145.6
[M+NH4]+	217.110213	162.0
[M+K]+	238.039548	147.5
[M+H-H2O]+	182.073650	136.7
[M+HCOO]-	244.074591	161.2
[M+CH3COO]-	258.090241	189.3
[M+Na-2H]-	220.051056	145.4
[M]+	199.07584142	144.7
[M]-	199.07693858	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe