CID 2760343

(4-phenoxyphenyl)methanamine

Structural Information

Molecular Formula
C13H13NO
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)CN
InChI
InChI=1S/C13H13NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10,14H2
InChIKey
CCAZAGUSBMVSAR-UHFFFAOYSA-N
Compound name
(4-phenoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

586
Patents

199.09972 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10700 142.6
[M+Na]+ 222.08894 149.8
[M-H]- 198.09244 148.9
[M+NH4]+ 217.13354 161.1
[M+K]+ 238.06288 146.2
[M+H-H2O]+ 182.09698 135.3
[M+HCOO]- 244.09792 168.0
[M+CH3COO]- 258.11357 186.4
[M+Na-2H]- 220.07439 149.9
[M]+ 199.09917 141.5
[M]- 199.10027 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