CID 60906548

1-[3-(benzyloxy)phenyl]propan-2-amine

Structural Information

Molecular Formula
C16H19NO
SMILES
CC(CC1=CC(=CC=C1)OCC2=CC=CC=C2)N
InChI
InChI=1S/C16H19NO/c1-13(17)10-15-8-5-9-16(11-15)18-12-14-6-3-2-4-7-14/h2-9,11,13H,10,12,17H2,1H3
InChIKey
RHSLHPHRQRWTLD-UHFFFAOYSA-N
Compound name
1-(3-phenylmethoxyphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

241.14667 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.153946 157.1
[M+Na]+ 264.135888 162.6
[M-H]- 240.139394 162.9
[M+NH4]+ 259.180493 173.8
[M+K]+ 280.109828 158.8
[M+H-H2O]+ 224.143930 149.3
[M+HCOO]- 286.144871 180.5
[M+CH3COO]- 300.160521 196.3
[M+Na-2H]- 262.121336 161.5
[M]+ 241.14612142 156.3
[M]- 241.14721858 156.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe