CID 17206454

133344-80-6

Structural Information

Molecular Formula

C₁₄H₂₃NO₂

SMILES

CC(C)CCNCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C14H23NO2/c1-11(2)7-8-15-10-12-5-6-13(16-3)14(9-12)17-4/h5-6,9,11,15H,7-8,10H2,1-4H3

InChIKey

BDUIJHAHSRAUGH-UHFFFAOYSA-N

Compound name

N-[(3,4-dimethoxyphenyl)methyl]-3-methylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 237.17288 Da
Monoisotopic Mass: 2.6
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]+	238.180156	157.3
[M+Na]+	260.162098	163.2
[M-H]-	236.165604	160.7
[M+NH4]+	255.206703	175.2
[M+K]+	276.136038	161.6
[M+H-H2O]+	220.170140	150.5
[M+HCOO]-	282.171081	180.7
[M+CH3COO]-	296.186731	198.5
[M+Na-2H]-	258.147546	160.4
[M]+	237.17233142	161.3
[M]-	237.17342858	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe