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

39
Patents

243.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.133206 155.2
[M+Na]+ 266.115148 162.3
[M-H]- 242.118654 161.5
[M+NH4]+ 261.159753 172.1
[M+K]+ 282.089088 158.9
[M+H-H2O]+ 226.123190 147.4
[M+HCOO]- 288.124131 180.1
[M+CH3COO]- 302.139781 195.6
[M+Na-2H]- 264.100596 160.6
[M]+ 243.12538142 156.5
[M]- 243.12647858 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