CID 11693600

897661-66-4

Structural Information

Molecular Formula
C11H14FNO2
SMILES
C1CC2=C(C=CC(=C2)F)OC1C(CN)O
InChI
InChI=1S/C11H14FNO2/c12-8-2-4-10-7(5-8)1-3-11(15-10)9(14)6-13/h2,4-5,9,11,14H,1,3,6,13H2
InChIKey
XEWOKAJCYBGRTK-UHFFFAOYSA-N
Compound name
2-amino-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

211.10086 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10814 144.9
[M+Na]+ 234.09008 151.2
[M-H]- 210.09358 146.6
[M+NH4]+ 229.13468 162.2
[M+K]+ 250.06402 149.2
[M+H-H2O]+ 194.09812 138.0
[M+HCOO]- 256.09906 162.1
[M+CH3COO]- 270.11471 187.2
[M+Na-2H]- 232.07553 149.7
[M]+ 211.10031 140.4
[M]- 211.10141 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe