CID 126970863

4-(2-hydroxyethyl)-3,4-dihydro-2h-1-benzopyran-4-ol

Structural Information

Molecular Formula
C11H14O3
SMILES
C1COC2=CC=CC=C2C1(CCO)O
InChI
InChI=1S/C11H14O3/c12-7-5-11(13)6-8-14-10-4-2-1-3-9(10)11/h1-4,12-13H,5-8H2
InChIKey
IDYZLGXYMCXTFS-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethyl)-2,3-dihydrochromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 140.7
[M+Na]+ 217.083518 147.7
[M-H]- 193.087024 143.0
[M+NH4]+ 212.128123 160.5
[M+K]+ 233.057458 146.0
[M+H-H2O]+ 177.091560 135.5
[M+HCOO]- 239.092501 158.3
[M+CH3COO]- 253.108151 177.1
[M+Na-2H]- 215.068966 149.5
[M]+ 194.09375142 139.3
[M]- 194.09484858 139.3
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.