CID 6922302

(1r)-2-(benzylamino)-1-phenylethan-1-ol

Structural Information

Molecular Formula
C15H17NO
SMILES
C1=CC=C(C=C1)CNC[C@@H](C2=CC=CC=C2)O
InChI
InChI=1S/C15H17NO/c17-15(14-9-5-2-6-10-14)12-16-11-13-7-3-1-4-8-13/h1-10,15-17H,11-12H2/t15-/m0/s1
InChIKey
XAOCLQUZOIZSHV-HNNXBMFYSA-N
Compound name
(1R)-2-(benzylamino)-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

227.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.138286 152.0
[M+Na]+ 250.120228 156.5
[M-H]- 226.123734 156.6
[M+NH4]+ 245.164833 168.4
[M+K]+ 266.094168 152.4
[M+H-H2O]+ 210.128270 144.4
[M+HCOO]- 272.129211 174.8
[M+CH3COO]- 286.144861 190.2
[M+Na-2H]- 248.105676 158.2
[M]+ 227.13046142 149.6
[M]- 227.13155858 149.6
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