CID 22499

4-dimethylamino-3,5-xylenol

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CC1=CC(=CC(=C1N(C)C)C)O

InChI

InChI=1S/C10H15NO/c1-7-5-9(12)6-8(2)10(7)11(3)4/h5-6,12H,1-4H3

InChIKey

GZPBVLUEICLBOA-UHFFFAOYSA-N

Compound name

4-(dimethylamino)-3,5-dimethylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3471
Patents: 165.11537 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]+	166.12265	135.5
[M+Na]+	188.10459	148.4
[M+NH4]+	183.14919	144.4
[M+K]+	204.07853	142.4
[M-H]-	164.10809	138.6
[M+Na-2H]-	186.09004	142.3
[M]+	165.11482	138.2
[M]-	165.11592	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe