CID 409782

2-methoxy-2-phenylethan-1-amine

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

537
Patents

151.09972 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 132.3
[M+Na]+ 174.088938 138.5
[M-H]- 150.092444 135.3
[M+NH4]+ 169.133543 152.8
[M+K]+ 190.062878 137.2
[M+H-H2O]+ 134.096980 126.3
[M+HCOO]- 196.097921 156.5
[M+CH3COO]- 210.113571 178.3
[M+Na-2H]- 172.074386 138.5
[M]+ 151.09917142 131.2
[M]- 151.10026858 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