CID 41672

55955-99-2

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CCC1=CC(=C(C=C1)O)CN(C)C

InChI

InChI=1S/C11H17NO/c1-4-9-5-6-11(13)10(7-9)8-12(2)3/h5-7,13H,4,8H2,1-3H3

InChIKey

FSBZQLGCTYKSMP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 179.13101 Da
Monoisotopic Mass: 1.6
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]+	180.13829	140.1
[M+Na]+	202.12023	147.4
[M-H]-	178.12373	144.1
[M+NH4]+	197.16483	160.4
[M+K]+	218.09417	146.0
[M+H-H2O]+	162.12827	134.2
[M+HCOO]-	224.12921	164.2
[M+CH3COO]-	238.14486	187.4
[M+Na-2H]-	200.10568	144.9
[M]+	179.13046	141.5
[M]-	179.13156	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe