CID 17749841

(2-phenoxyphenyl)methanamine

Structural Information

Molecular Formula
C13H13NO
SMILES
C1=CC=C(C=C1)OC2=CC=CC=C2CN
InChI
InChI=1S/C13H13NO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9H,10,14H2
InChIKey
WXCFCNCGPYJALB-UHFFFAOYSA-N
Compound name
(2-phenoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

175
Patents

199.09972 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.106996 142.6
[M+Na]+ 222.088938 149.8
[M-H]- 198.092444 148.9
[M+NH4]+ 217.133543 161.1
[M+K]+ 238.062878 146.2
[M+H-H2O]+ 182.096980 135.3
[M+HCOO]- 244.097921 168.0
[M+CH3COO]- 258.113571 186.4
[M+Na-2H]- 220.074386 149.9
[M]+ 199.09917142 141.5
[M]- 199.10026858 141.5
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