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]+ 242.15395 157.0
[M+Na]+ 264.13589 163.5
[M-H]- 240.13939 163.2
[M+NH4]+ 259.18049 174.0
[M+K]+ 280.10983 159.8
[M+H-H2O]+ 224.14393 149.4
[M+HCOO]- 286.14487 180.4
[M+CH3COO]- 300.16052 197.4
[M+Na-2H]- 262.12134 160.6
[M]+ 241.14612 156.7
[M]- 241.14722 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.