CID 65721633

(4r)-6,8-dimethyl-3,4-dihydro-2h-1-benzopyran-4-ol

Structural Information

Molecular Formula
C11H14O2
SMILES
CC1=CC(=C2C(=C1)[C@@H](CCO2)O)C
InChI
InChI=1S/C11H14O2/c1-7-5-8(2)11-9(6-7)10(12)3-4-13-11/h5-6,10,12H,3-4H2,1-2H3/t10-/m1/s1
InChIKey
JCOKVBOJMBLIJT-SNVBAGLBSA-N
Compound name
(4R)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.09938 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 136.2
[M+Na]+ 201.08860 144.7
[M-H]- 177.09210 140.5
[M+NH4]+ 196.13320 156.1
[M+K]+ 217.06254 143.1
[M+H-H2O]+ 161.09664 131.0
[M+HCOO]- 223.09758 155.2
[M+CH3COO]- 237.11323 180.3
[M+Na-2H]- 199.07405 143.1
[M]+ 178.09883 135.6
[M]- 178.09993 135.6
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.