CID 16794100

2-phenoxy-1-phenylethan-1-amine hydrochloride

Structural Information

Molecular Formula
C14H15NO
SMILES
C1=CC=C(C=C1)C(COC2=CC=CC=C2)N
InChI
InChI=1S/C14H15NO/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h1-10,14H,11,15H2
InChIKey
VPMNXCAPTJKWHO-UHFFFAOYSA-N
Compound name
2-phenoxy-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

213.11537 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.122646 147.9
[M+Na]+ 236.104588 153.3
[M-H]- 212.108094 153.6
[M+NH4]+ 231.149193 165.4
[M+K]+ 252.078528 149.9
[M+H-H2O]+ 196.112630 140.2
[M+HCOO]- 258.113571 171.9
[M+CH3COO]- 272.129221 189.1
[M+Na-2H]- 234.090036 154.1
[M]+ 213.11482142 146.0
[M]- 213.11591858 146.0
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