CID 74866

3-methoxyphenethylamine

Structural Information

Molecular Formula
C9H13NO
SMILES
COC1=CC=CC(=C1)CCN
InChI
InChI=1S/C9H13NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5-6,10H2,1H3
InChIKey
WJBMRZAHTUFBGE-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

2808
Patents

151.09972 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 131.3
[M+Na]+ 174.08894 143.7
[M+NH4]+ 169.13354 140.3
[M+K]+ 190.06288 136.9
[M-H]- 150.09244 134.4
[M+Na-2H]- 172.07439 138.7
[M]+ 151.09917 133.8
[M]- 151.10027 133.8
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