CID 46207833

4-(tetrahydro-2h-pyran-4-yl)benzene-1,3-diol

Structural Information

Molecular Formula
C11H14O3
SMILES
C1COCCC1C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C11H14O3/c12-9-1-2-10(11(13)7-9)8-3-5-14-6-4-8/h1-2,7-8,12-13H,3-6H2
InChIKey
YVJHGULPEXKTIJ-UHFFFAOYSA-N
Compound name
4-(oxan-4-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

54
Patents

194.0943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 141.0
[M+Na]+ 217.083518 146.8
[M-H]- 193.087024 145.4
[M+NH4]+ 212.128123 157.6
[M+K]+ 233.057458 145.1
[M+H-H2O]+ 177.091560 134.8
[M+HCOO]- 239.092501 158.8
[M+CH3COO]- 253.108151 177.4
[M+Na-2H]- 215.068966 146.3
[M]+ 194.09375142 136.8
[M]- 194.09484858 136.8
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

patents stripe