CID 170640

42372-00-9

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

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

InChI

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

InChIKey

UXJAGSSVZDVPFB-UHFFFAOYSA-N

Compound name

4-[(dimethylamino)methyl]-2,5-dimethylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 13
Patents: 179.13101 Da
Monoisotopic Mass: 2.1
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]+	180.138286	139.3
[M+Na]+	202.120228	147.6
[M-H]-	178.123734	143.8
[M+NH4]+	197.164833	160.1
[M+K]+	218.094168	146.3
[M+H-H2O]+	162.128270	133.8
[M+HCOO]-	224.129211	163.5
[M+CH3COO]-	238.144861	188.6
[M+Na-2H]-	200.105676	143.5
[M]+	179.13046142	141.2
[M]-	179.13155858	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe