CID 212478

Brn 2108204

Structural Information

Molecular Formula
C13H21NO2
SMILES
CC1=CC(=C(C=C1OC)CCN(C)C)OC
InChI
InChI=1S/C13H21NO2/c1-10-8-13(16-5)11(6-7-14(2)3)9-12(10)15-4/h8-9H,6-7H2,1-5H3
InChIKey
VSOYVYVZVYSOAS-UHFFFAOYSA-N
Compound name
2-(2,5-dimethoxy-4-methylphenyl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.15723 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.164506 151.4
[M+Na]+ 246.146448 159.1
[M-H]- 222.149954 156.8
[M+NH4]+ 241.191053 171.0
[M+K]+ 262.120388 158.8
[M+H-H2O]+ 206.154490 144.9
[M+HCOO]- 268.155431 176.6
[M+CH3COO]- 282.171081 199.3
[M+Na-2H]- 244.131896 154.9
[M]+ 223.15668142 157.4
[M]- 223.15777858 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.