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 154.4
[M+Na]+ 262.12023 160.7
[M-H]- 238.12373 160.2
[M+NH4]+ 257.16483 173.5
[M+K]+ 278.09417 155.7
[M+H-H2O]+ 222.12827 147.8
[M+HCOO]- 284.12921 175.4
[M+CH3COO]- 298.14486 166.2
[M+Na-2H]- 260.10568 157.3
[M]+ 239.13046 150.4
[M]- 239.13156 150.4
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.