CID 13250360

Chebi:174040

Structural Information

Molecular Formula
C11H12O4
SMILES
COC1=CC(=CC2=C1OCO2)C(C=C)O
InChI
InChI=1S/C11H12O4/c1-3-8(12)7-4-9(13-2)11-10(5-7)14-6-15-11/h3-5,8,12H,1,6H2,2H3
InChIKey
LCVLPWQYHIJWCD-UHFFFAOYSA-N
Compound name
1-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

208.07356 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 142.9
[M+Na]+ 231.06278 151.2
[M-H]- 207.06628 147.7
[M+NH4]+ 226.10738 161.6
[M+K]+ 247.03672 151.3
[M+H-H2O]+ 191.07082 138.2
[M+HCOO]- 253.07176 162.7
[M+CH3COO]- 267.08741 183.3
[M+Na-2H]- 229.04823 148.6
[M]+ 208.07301 146.3
[M]- 208.07411 146.3
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

patents stripe