CID 4657

4-methoxyphenethylamine

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

25
References

4328
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 138.8
[M-H]- 150.09244 134.6
[M+NH4]+ 169.13354 152.2
[M+K]+ 190.06288 137.0
[M+H-H2O]+ 134.09698 125.5
[M+HCOO]- 196.09792 156.5
[M+CH3COO]- 210.11357 178.6
[M+Na-2H]- 172.07439 138.1
[M]+ 151.09917 131.2
[M]- 151.10027 131.2
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