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	134.6
[M+Na]+	188.10459	143.3
[M-H]-	164.10809	139.2
[M+NH4]+	183.14919	155.9
[M+K]+	204.07853	142.3
[M+H-H2O]+	148.11263	129.3
[M+HCOO]-	210.11357	159.1
[M+CH3COO]-	224.12922	185.5
[M+Na-2H]-	186.09004	139.3
[M]+	165.11482	136.1
[M]-	165.11592	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe