CID 81835

2,3-bis(hydroxymethyl)phenol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1716
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 129.7
[M+Na]+ 177.05221 138.0
[M-H]- 153.05571 130.0
[M+NH4]+ 172.09681 149.2
[M+K]+ 193.02615 135.3
[M+H-H2O]+ 137.06025 125.1
[M+HCOO]- 199.06119 150.8
[M+CH3COO]- 213.07684 168.9
[M+Na-2H]- 175.03766 135.6
[M]+ 154.06244 128.7
[M]- 154.06354 128.7
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