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]+ 240.138286 154.4
[M+Na]+ 262.120228 160.7
[M-H]- 238.123734 160.2
[M+NH4]+ 257.164833 173.5
[M+K]+ 278.094168 155.7
[M+H-H2O]+ 222.128270 147.8
[M+HCOO]- 284.129211 175.4
[M+CH3COO]- 298.144861 166.2
[M+Na-2H]- 260.105676 157.3
[M]+ 239.13046142 150.4
[M]- 239.13155858 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.