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	141.1
[M+Na]+	201.13622	147.0
[M-H]-	177.13972	146.0
[M+NH4]+	196.18082	161.5
[M+K]+	217.11016	146.0
[M+H-H2O]+	161.14426	134.4
[M+HCOO]-	223.14520	167.5
[M+CH3COO]-	237.16085	191.8
[M+Na-2H]-	199.12167	147.3
[M]+	178.14645	141.9
[M]-	178.14755	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe