CID 13754432

76813-80-4

Structural Information

Molecular Formula
C14H15NO
SMILES
C1=CC=C(C=C1)COC2=CC=CC=C2CN
InChI
InChI=1S/C14H15NO/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-9H,10-11,15H2
InChIKey
KOGOOCNDBVXUPW-UHFFFAOYSA-N
Compound name
(2-phenylmethoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

213.11537 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12265 147.2
[M+Na]+ 236.10459 154.0
[M-H]- 212.10809 153.3
[M+NH4]+ 231.14919 165.2
[M+K]+ 252.07853 150.1
[M+H-H2O]+ 196.11263 139.7
[M+HCOO]- 258.11357 172.3
[M+CH3COO]- 272.12922 189.4
[M+Na-2H]- 234.09004 154.0
[M]+ 213.11482 146.4
[M]- 213.11592 146.4
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