CID 121190

Methoxyphenethylamine

Structural Information

Molecular Formula
C9H13NO
SMILES
CONCCC1=CC=CC=C1
InChI
InChI=1S/C9H13NO/c1-11-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKey
FEGKXZFSOCPQJH-UHFFFAOYSA-N
Compound name
N-methoxy-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

398
Patents

151.09972 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 131.0
[M+Na]+ 174.088938 137.5
[M-H]- 150.092444 134.4
[M+NH4]+ 169.133543 151.8
[M+K]+ 190.062878 136.1
[M+H-H2O]+ 134.096980 124.9
[M+HCOO]- 196.097921 156.8
[M+CH3COO]- 210.113571 178.2
[M+Na-2H]- 172.074386 139.6
[M]+ 151.09917142 131.6
[M]- 151.10026858 131.6
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