CID 212479

24286-43-9

Structural Information

Molecular Formula
C12H19NO2
SMILES
CC1=CC(=C(C=C1OC)CCNC)OC
InChI
InChI=1S/C12H19NO2/c1-9-7-12(15-4)10(5-6-13-2)8-11(9)14-3/h7-8,13H,5-6H2,1-4H3
InChIKey
HPHKCSXBRWQCJB-UHFFFAOYSA-N
Compound name
2-(2,5-dimethoxy-4-methylphenyl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.14159 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.148866 147.1
[M+Na]+ 232.130808 155.1
[M-H]- 208.134314 151.1
[M+NH4]+ 227.175413 166.5
[M+K]+ 248.104748 153.5
[M+H-H2O]+ 192.138850 140.9
[M+HCOO]- 254.139791 172.1
[M+CH3COO]- 268.155441 192.8
[M+Na-2H]- 230.116256 151.9
[M]+ 209.14104142 151.4
[M]- 209.14213858 151.4
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.