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

38
Patents

227.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.13829 152.0
[M+Na]+ 250.12023 156.5
[M-H]- 226.12373 156.6
[M+NH4]+ 245.16483 168.4
[M+K]+ 266.09417 152.4
[M+H-H2O]+ 210.12827 144.4
[M+HCOO]- 272.12921 174.8
[M+CH3COO]- 286.14486 190.2
[M+Na-2H]- 248.10568 158.2
[M]+ 227.13046 149.6
[M]- 227.13156 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