CID 4962212

(4-(benzyloxy)-3-methoxyphenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C15H17NO2
SMILES
COC1=C(C=CC(=C1)CN)OCC2=CC=CC=C2
InChI
InChI=1S/C15H17NO2/c1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12/h2-9H,10-11,16H2,1H3
InChIKey
KGFTVIUXEMKAIT-UHFFFAOYSA-N
Compound name
(3-methoxy-4-phenylmethoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

243.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 155.2
[M+Na]+ 266.11515 162.3
[M-H]- 242.11865 161.5
[M+NH4]+ 261.15975 172.1
[M+K]+ 282.08909 158.9
[M+H-H2O]+ 226.12319 147.4
[M+HCOO]- 288.12413 180.1
[M+CH3COO]- 302.13978 195.6
[M+Na-2H]- 264.10060 160.6
[M]+ 243.12538 156.5
[M]- 243.12648 156.5
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