CID 2756610

5-(benzylaminomethyl)-2-methoxyphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.12593 Da
Monoisotopic Mass

2.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.