CID 23642855

2-(3,4-dihydroxy-phenyl)ethyl methyl carbonate

Structural Information

Molecular Formula
C10H12O5
SMILES
COC(=O)OCCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C10H12O5/c1-14-10(13)15-5-4-7-2-3-8(11)9(12)6-7/h2-3,6,11-12H,4-5H2,1H3
InChIKey
YUVJIRWJKNBBOI-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)ethyl methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.06847 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07575 143.1
[M+Na]+ 235.05769 150.9
[M-H]- 211.06119 144.5
[M+NH4]+ 230.10229 160.8
[M+K]+ 251.03163 149.7
[M+H-H2O]+ 195.06573 137.4
[M+HCOO]- 257.06667 164.6
[M+CH3COO]- 271.08232 180.5
[M+Na-2H]- 233.04314 147.2
[M]+ 212.06792 146.1
[M]- 212.06902 146.1
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

No patent data available for this compound.