CID 3042572

Phenol, 4-(2-((phenylmethyl)amino)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C15H17NO
SMILES
C1=CC=C(C=C1)CNCCC2=CC=C(C=C2)O
InChI
InChI=1S/C15H17NO/c17-15-8-6-13(7-9-15)10-11-16-12-14-4-2-1-3-5-14/h1-9,16-17H,10-12H2
InChIKey
DAKFPYXAXDNNMV-UHFFFAOYSA-N
Compound name
4-[2-(benzylamino)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

227.13101 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.13829 151.4
[M+Na]+ 250.12023 157.2
[M-H]- 226.12373 156.4
[M+NH4]+ 245.16483 168.3
[M+K]+ 266.09417 152.6
[M+H-H2O]+ 210.12827 143.9
[M+HCOO]- 272.12921 175.2
[M+CH3COO]- 286.14486 190.5
[M+Na-2H]- 248.10568 158.2
[M]+ 227.13046 150.0
[M]- 227.13156 150.0
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