CID 28063986

179873-24-6

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

CNCC1=CC=C(C=C1)CN(C)C

InChI

InChI=1S/C11H18N2/c1-12-8-10-4-6-11(7-5-10)9-13(2)3/h4-7,12H,8-9H2,1-3H3

InChIKey

TYMWHXVEBSVNAA-UHFFFAOYSA-N

Compound name

1-[4-[(dimethylamino)methyl]phenyl]-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 178.147 Da
Monoisotopic Mass: 1.1
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]+	179.15428	141.5
[M+Na]+	201.13622	153.1
[M+NH4]+	196.18082	150.6
[M+K]+	217.11016	146.0
[M-H]-	177.13972	145.7
[M+Na-2H]-	199.12167	149.1
[M]+	178.14645	144.3
[M]-	178.14755	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe