CID 202458

10429-35-3

Structural Information

Molecular Formula
C16H19NO
SMILES
CC(CN)OC1=CC=CC=C1CC2=CC=CC=C2
InChI
InChI=1S/C16H19NO/c1-13(12-17)18-16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,13H,11-12,17H2,1H3
InChIKey
BUBGMHPEXLCEJK-UHFFFAOYSA-N
Compound name
2-(2-benzylphenoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.14667 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.15395 157.1
[M+Na]+ 264.13589 162.6
[M-H]- 240.13939 162.9
[M+NH4]+ 259.18049 173.8
[M+K]+ 280.10983 158.8
[M+H-H2O]+ 224.14393 149.3
[M+HCOO]- 286.14487 180.5
[M+CH3COO]- 300.16052 196.3
[M+Na-2H]- 262.12134 161.5
[M]+ 241.14612 156.3
[M]- 241.14722 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

No patent data available for this compound.