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]+ 244.133206 154.7
[M+Na]+ 266.115148 161.4
[M-H]- 242.118654 160.2
[M+NH4]+ 261.159753 171.2
[M+K]+ 282.089088 157.4
[M+H-H2O]+ 226.123190 147.2
[M+HCOO]- 288.124131 178.8
[M+CH3COO]- 302.139781 193.7
[M+Na-2H]- 264.100596 160.8
[M]+ 243.12538142 155.2
[M]- 243.12647858 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.