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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.122646 148.0
[M+Na]+ 236.104588 154.0
[M-H]- 212.108094 152.8
[M+NH4]+ 231.149193 165.2
[M+K]+ 252.078528 149.8
[M+H-H2O]+ 196.112630 140.9
[M+HCOO]- 258.113571 170.6
[M+CH3COO]- 272.129221 187.7
[M+Na-2H]- 234.090036 153.1
[M]+ 213.11482142 144.7
[M]- 213.11591858 144.7
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