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]+ 214.12265 148.0
[M+Na]+ 236.10459 154.0
[M-H]- 212.10809 152.8
[M+NH4]+ 231.14919 165.2
[M+K]+ 252.07853 149.8
[M+H-H2O]+ 196.11263 140.9
[M+HCOO]- 258.11357 170.6
[M+CH3COO]- 272.12922 187.7
[M+Na-2H]- 234.09004 153.1
[M]+ 213.11482 144.7
[M]- 213.11592 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