CID 3669487

2-{[(1-phenylethyl)amino]methyl}phenol

Structural Information

Molecular Formula
C15H17NO
SMILES
CC(C1=CC=CC=C1)NCC2=CC=CC=C2O
InChI
InChI=1S/C15H17NO/c1-12(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15(14)17/h2-10,12,16-17H,11H2,1H3
InChIKey
BYIZBEHMSPRAPK-UHFFFAOYSA-N
Compound name
2-[(1-phenylethylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

4
Patents

227.13101 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.13829 152.0
[M+Na]+ 250.12023 157.5
[M-H]- 226.12373 157.1
[M+NH4]+ 245.16483 168.8
[M+K]+ 266.09417 153.4
[M+H-H2O]+ 210.12827 144.7
[M+HCOO]- 272.12921 174.8
[M+CH3COO]- 286.14486 191.4
[M+Na-2H]- 248.10568 157.6
[M]+ 227.13046 150.1
[M]- 227.13156 150.1
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