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]+ 195.10158 140.7
[M+Na]+ 217.08352 147.7
[M-H]- 193.08702 143.0
[M+NH4]+ 212.12812 160.5
[M+K]+ 233.05746 146.0
[M+H-H2O]+ 177.09156 135.5
[M+HCOO]- 239.09250 158.3
[M+CH3COO]- 253.10815 177.1
[M+Na-2H]- 215.06897 149.5
[M]+ 194.09375 139.3
[M]- 194.09485 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.