CID 65721060

1567968-24-4

Structural Information

Molecular Formula
C12H16O2
SMILES
CC(C)C1=CC2=C(C=C1)OCC[C@H]2O
InChI
InChI=1S/C12H16O2/c1-8(2)9-3-4-12-10(7-9)11(13)5-6-14-12/h3-4,7-8,11,13H,5-6H2,1-2H3/t11-/m1/s1
InChIKey
LZDOIOQHXGLFIJ-LLVKDONJSA-N
Compound name
(4R)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.11504 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 141.5
[M+Na]+ 215.10426 148.3
[M-H]- 191.10776 145.2
[M+NH4]+ 210.14886 160.4
[M+K]+ 231.07820 146.9
[M+H-H2O]+ 175.11230 136.0
[M+HCOO]- 237.11324 159.1
[M+CH3COO]- 251.12889 183.1
[M+Na-2H]- 213.08971 147.3
[M]+ 192.11449 140.2
[M]- 192.11559 140.2
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.