CID 420719

4-(benzylaminomethyl)-2-methoxyphenol

Structural Information

Molecular Formula
C15H17NO2
SMILES
COC1=C(C=CC(=C1)CNCC2=CC=CC=C2)O
InChI
InChI=1S/C15H17NO2/c1-18-15-9-13(7-8-14(15)17)11-16-10-12-5-3-2-4-6-12/h2-9,16-17H,10-11H2,1H3
InChIKey
KXXBEKGUFGRVPY-UHFFFAOYSA-N
Compound name
4-[(benzylamino)methyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

243.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 154.7
[M+Na]+ 266.11515 161.4
[M-H]- 242.11865 160.2
[M+NH4]+ 261.15975 171.2
[M+K]+ 282.08909 157.4
[M+H-H2O]+ 226.12319 147.2
[M+HCOO]- 288.12413 178.8
[M+CH3COO]- 302.13978 193.7
[M+Na-2H]- 264.10060 160.8
[M]+ 243.12538 155.2
[M]- 243.12648 155.2
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