CID 22809970

Chembl1927027

Structural Information

Molecular Formula
C10H15NO
SMILES
C[C@H](CC1=CC(=CC=C1)OC)N
InChI
InChI=1S/C10H15NO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6,11H2,1-2H3/t8-/m1/s1
InChIKey
VEJWNIYARKAHFI-MRVPVSSYSA-N
Compound name
(2R)-1-(3-methoxyphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

165.11537 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 136.6
[M+Na]+ 188.10459 143.4
[M-H]- 164.10809 139.8
[M+NH4]+ 183.14919 156.9
[M+K]+ 204.07853 141.8
[M+H-H2O]+ 148.11263 130.6
[M+HCOO]- 210.11357 160.4
[M+CH3COO]- 224.12922 182.5
[M+Na-2H]- 186.09004 141.5
[M]+ 165.11482 136.2
[M]- 165.11592 136.2
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