CID 213906

2-(alpha-aminobenzyl)-1-indanol hydrochloride

Structural Information

Molecular Formula
C16H17NO
SMILES
C1[C@@H]([C@@H](C2=CC=CC=C21)O)C(C3=CC=CC=C3)N
InChI
InChI=1S/C16H17NO/c17-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)16(14)18/h1-9,14-16,18H,10,17H2/t14-,15?,16-/m1/s1
InChIKey
ZUOFKSFUCSOVOV-YTPLPTRZSA-N
Compound name
(1S,2R)-2-[amino(phenyl)methyl]-2,3-dihydro-1H-inden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.13101 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13829 155.4
[M+Na]+ 262.12023 167.8
[M+NH4]+ 257.16483 165.0
[M+K]+ 278.09417 162.2
[M-H]- 238.12373 160.5
[M+Na-2H]- 260.10568 162.6
[M]+ 239.13046 158.6
[M]- 239.13156 158.6
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

No patent data available for this compound.