CID 135740

2,5-dimethoxy-4-methylphenethylamine

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC1=CC(=C(C=C1OC)CCN)OC
InChI
InChI=1S/C11H17NO2/c1-8-6-11(14-3)9(4-5-12)7-10(8)13-2/h6-7H,4-5,12H2,1-3H3
InChIKey
UNQQFDCVEMVQHM-UHFFFAOYSA-N
Compound name
2-(2,5-dimethoxy-4-methylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

6
References

358
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 143.0
[M+Na]+ 218.11515 151.5
[M-H]- 194.11865 146.8
[M+NH4]+ 213.15975 162.8
[M+K]+ 234.08909 149.8
[M+H-H2O]+ 178.12319 137.1
[M+HCOO]- 240.12413 167.8
[M+CH3COO]- 254.13978 189.1
[M+Na-2H]- 216.10060 147.3
[M]+ 195.12538 146.0
[M]- 195.12648 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe