CID 83098

13063-01-9

Structural Information

Molecular Formula
C11H17NO2
SMILES
CNCCC1=C(C=CC(=C1)OC)OC
InChI
InChI=1S/C11H17NO2/c1-12-7-6-9-8-10(13-2)4-5-11(9)14-3/h4-5,8,12H,6-7H2,1-3H3
InChIKey
PIGIFXLLTQEIPK-UHFFFAOYSA-N
Compound name
2-(2,5-dimethoxyphenyl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

195.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 142.8
[M+Na]+ 218.11515 150.3
[M-H]- 194.11865 146.7
[M+NH4]+ 213.15975 162.5
[M+K]+ 234.08909 148.9
[M+H-H2O]+ 178.12319 136.5
[M+HCOO]- 240.12413 168.2
[M+CH3COO]- 254.13978 188.5
[M+Na-2H]- 216.10060 148.8
[M]+ 195.12538 146.4
[M]- 195.12648 146.4
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

patents stripe