CID 3156802

510723-82-7

Structural Information

Molecular Formula

C₁₃H₁₉NO₂

SMILES

COC1=CC=CC(=C1)CNCC2CCCO2

InChI

InChI=1S/C13H19NO2/c1-15-12-5-2-4-11(8-12)9-14-10-13-6-3-7-16-13/h2,4-5,8,13-14H,3,6-7,9-10H2,1H3

InChIKey

IEMDSULAWKUBMN-UHFFFAOYSA-N

Compound name

N-[(3-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 221.14159 Da
Monoisotopic Mass: 1.7
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]+	222.148866	150.2
[M+Na]+	244.130808	155.2
[M-H]-	220.134314	156.9
[M+NH4]+	239.175413	168.5
[M+K]+	260.104748	154.0
[M+H-H2O]+	204.138850	143.3
[M+HCOO]-	266.139791	173.4
[M+CH3COO]-	280.155441	189.6
[M+Na-2H]-	242.116256	155.0
[M]+	221.14104142	150.0
[M]-	221.14213858	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe