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]+ 224.16451 151.4
[M+Na]+ 246.14645 159.1
[M-H]- 222.14995 156.8
[M+NH4]+ 241.19105 171.0
[M+K]+ 262.12039 158.8
[M+H-H2O]+ 206.15449 144.9
[M+HCOO]- 268.15543 176.6
[M+CH3COO]- 282.17108 199.3
[M+Na-2H]- 244.13190 154.9
[M]+ 223.15668 157.4
[M]- 223.15778 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.