CID 853656

2-{[(3-methoxyphenyl)amino]methyl}phenol

Structural Information

Molecular Formula
C14H15NO2
SMILES
COC1=CC=CC(=C1)NCC2=CC=CC=C2O
InChI
InChI=1S/C14H15NO2/c1-17-13-7-4-6-12(9-13)15-10-11-5-2-3-8-14(11)16/h2-9,15-16H,10H2,1H3
InChIKey
RPTNQPWTZCSQDB-UHFFFAOYSA-N
Compound name
2-[(3-methoxyanilino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

229.11028 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11756 150.2
[M+Na]+ 252.09950 157.3
[M-H]- 228.10300 155.8
[M+NH4]+ 247.14410 167.2
[M+K]+ 268.07344 153.5
[M+H-H2O]+ 212.10754 142.8
[M+HCOO]- 274.10848 174.5
[M+CH3COO]- 288.12413 190.7
[M+Na-2H]- 250.08495 156.8
[M]+ 229.10973 150.3
[M]- 229.11083 150.3
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

patents stripe