CID 16788847

1-{4-[(3-methylphenyl)methoxy]phenyl}ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C16H19NO
SMILES
CC1=CC(=CC=C1)COC2=CC=C(C=C2)C(C)N
InChI
InChI=1S/C16H19NO/c1-12-4-3-5-14(10-12)11-18-16-8-6-15(7-9-16)13(2)17/h3-10,13H,11,17H2,1-2H3
InChIKey
VWYKRJKOKDJYJD-UHFFFAOYSA-N
Compound name
1-[4-[(3-methylphenyl)methoxy]phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.14667 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.153946 157.0
[M+Na]+ 264.135888 163.5
[M-H]- 240.139394 163.2
[M+NH4]+ 259.180493 174.0
[M+K]+ 280.109828 159.8
[M+H-H2O]+ 224.143930 149.4
[M+HCOO]- 286.144871 180.4
[M+CH3COO]- 300.160521 197.4
[M+Na-2H]- 262.121336 160.6
[M]+ 241.14612142 156.7
[M]- 241.14721858 156.7
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

No patent data available for this compound.