CID 11095273

1-(4-hydroxyphenyl)propane-1,2,3-triol

Structural Information

Molecular Formula
C9H12O4
SMILES
C1=CC(=CC=C1C(C(CO)O)O)O
InChI
InChI=1S/C9H12O4/c10-5-8(12)9(13)6-1-3-7(11)4-2-6/h1-4,8-13H,5H2
InChIKey
DGMSJCVOBYTYTE-UHFFFAOYSA-N
Compound name
1-(4-hydroxyphenyl)propane-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

184.07356 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.080836 138.8
[M+Na]+ 207.062778 144.6
[M-H]- 183.066284 137.1
[M+NH4]+ 202.107383 155.7
[M+K]+ 223.036718 142.3
[M+H-H2O]+ 167.070820 133.8
[M+HCOO]- 229.071761 156.2
[M+CH3COO]- 243.087411 172.4
[M+Na-2H]- 205.048226 141.7
[M]+ 184.07301142 136.0
[M]- 184.07410858 136.0
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