CID 15765124

C-veratroylglycol

Structural Information

Molecular Formula
C10H12O5
SMILES
COC1=C(C=CC(=C1)C(=O)C(CO)O)O
InChI
InChI=1S/C10H12O5/c1-15-9-4-6(2-3-7(9)12)10(14)8(13)5-11/h2-4,8,11-13H,5H2,1H3
InChIKey
UTXNRISXYKZJTH-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

34
Patents

212.06847 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07575 143.4
[M+Na]+ 235.05769 150.3
[M-H]- 211.06119 143.4
[M+NH4]+ 230.10229 160.1
[M+K]+ 251.03163 148.8
[M+H-H2O]+ 195.06573 138.0
[M+HCOO]- 257.06667 162.4
[M+CH3COO]- 271.08232 180.4
[M+Na-2H]- 233.04314 145.8
[M]+ 212.06792 144.1
[M]- 212.06902 144.1
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