CID 853082

(r)-1-(2-methoxyphenyl)ethanamine

Structural Information

Molecular Formula
C9H13NO
SMILES
C[C@@H](C1=CC=CC=C1OC)N
InChI
InChI=1S/C9H13NO/c1-7(10)8-5-3-4-6-9(8)11-2/h3-7H,10H2,1-2H3/t7-/m0/s1
InChIKey
VENQOHAPVLVQKV-ZETCQYMHSA-N
Compound name
(1S)-1-(2-methoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

531
Patents

151.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 131.7
[M+Na]+ 174.08894 143.7
[M+NH4]+ 169.13354 140.6
[M+K]+ 190.06288 137.7
[M-H]- 150.09244 134.6
[M+Na-2H]- 172.07439 138.7
[M]+ 151.09917 134.1
[M]- 151.10027 134.1
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