CID 45088877

540510-97-2

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CC1=C(C=CC(=C1)CN(C)C)O

InChI

InChI=1S/C10H15NO/c1-8-6-9(7-11(2)3)4-5-10(8)12/h4-6,12H,7H2,1-3H3

InChIKey

HFDBPSGIHSZBHA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 165.11537 Da
Monoisotopic Mass: 1.8
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	135.3
[M+Na]+	188.10459	143.1
[M-H]-	164.10809	139.5
[M+NH4]+	183.14919	156.3
[M+K]+	204.07853	142.0
[M+H-H2O]+	148.11263	129.7
[M+HCOO]-	210.11357	159.9
[M+CH3COO]-	224.12922	184.3
[M+Na-2H]-	186.09004	140.7
[M]+	165.11482	136.5
[M]-	165.11592	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe