CID 199693

4-(2-amino-2-phenylethyl)phenol

Structural Information

Molecular Formula

C₁₄H₁₅NO

SMILES

C1=CC=C(C=C1)C(CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C14H15NO/c15-14(12-4-2-1-3-5-12)10-11-6-8-13(16)9-7-11/h1-9,14,16H,10,15H2

InChIKey

IHKIKEDQADLMTP-UHFFFAOYSA-N

Compound name

4-(2-amino-2-phenylethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 213.11537 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	214.12265	149.1
[M+Na]+	236.10459	162.5
[M+NH4]+	231.14919	158.1
[M+K]+	252.07853	155.1
[M-H]-	212.10809	154.1
[M+Na-2H]-	234.09004	158.4
[M]+	213.11482	152.4
[M]-	213.11592	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe