CID 76244

2937-59-9

Structural Information

Molecular Formula
C8H10O3
SMILES
C1=CC(=C(C(=C1)CO)O)CO
InChI
InChI=1S/C8H10O3/c9-4-6-2-1-3-7(5-10)8(6)11/h1-3,9-11H,4-5H2
InChIKey
DECTVMOFPJKFOZ-UHFFFAOYSA-N
Compound name
2,6-bis(hydroxymethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

924
Patents

154.06299 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 129.8
[M+Na]+ 177.05221 141.7
[M+NH4]+ 172.09681 137.5
[M+K]+ 193.02615 136.8
[M-H]- 153.05571 130.3
[M+Na-2H]- 175.03766 135.3
[M]+ 154.06244 131.5
[M]- 154.06354 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe