CID 3048930

4-chromanol, 3-ethylamino-, (e)

Structural Information

Molecular Formula
C11H15NO2
SMILES
CCN[C@H]1COC2=CC=CC=C2[C@@H]1O
InChI
InChI=1S/C11H15NO2/c1-2-12-9-7-14-10-6-4-3-5-8(10)11(9)13/h3-6,9,11-13H,2,7H2,1H3/t9-,11-/m0/s1
InChIKey
HSNLJVKBGMJTPR-ONGXEEELSA-N
Compound name
(3S,4S)-3-(ethylamino)-3,4-dihydro-2H-chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.11028 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 140.6
[M+Na]+ 216.09950 147.2
[M-H]- 192.10300 144.2
[M+NH4]+ 211.14410 159.1
[M+K]+ 232.07344 145.5
[M+H-H2O]+ 176.10754 134.6
[M+HCOO]- 238.10848 160.6
[M+CH3COO]- 252.12413 184.1
[M+Na-2H]- 214.08495 148.4
[M]+ 193.10973 138.9
[M]- 193.11083 138.9
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.