CID 230856

4481-51-0

Structural Information

Molecular Formula
C14H15NO2
SMILES
C1=CC=C(C(=C1)CNCC2=CC=CC=C2O)O
InChI
InChI=1S/C14H15NO2/c16-13-7-3-1-5-11(13)9-15-10-12-6-2-4-8-14(12)17/h1-8,15-17H,9-10H2
InChIKey
ARMZYJYJGIRLRX-UHFFFAOYSA-N
Compound name
2-[[(2-hydroxyphenyl)methylamino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

63
Patents

229.11028 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11756 150.4
[M+Na]+ 252.09950 157.0
[M-H]- 228.10300 154.6
[M+NH4]+ 247.14410 166.7
[M+K]+ 268.07344 152.4
[M+H-H2O]+ 212.10754 143.3
[M+HCOO]- 274.10848 173.2
[M+CH3COO]- 288.12413 188.3
[M+Na-2H]- 250.08495 156.5
[M]+ 229.10973 148.7
[M]- 229.11083 148.7
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