CID 3042576

Phenol, 4-(((2-phenylethyl)amino)methyl)-, hydrochloride

Structural Information

Molecular Formula
C15H17NO
SMILES
C1=CC=C(C=C1)CCNCC2=CC=C(C=C2)O
InChI
InChI=1S/C15H17NO/c17-15-8-6-14(7-9-15)12-16-11-10-13-4-2-1-3-5-13/h1-9,16-17H,10-12H2
InChIKey
SEXASKWUPWPKPG-UHFFFAOYSA-N
Compound name
4-[(2-phenylethylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
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

No literature data available for this compound.

Patent stripe

patents stripe