CID 6440108

3'-hydroxysafrole

Structural Information

Molecular Formula
C10H10O3
SMILES
C1OC2=C(O1)C=C(C=C2)C/C=C/O
InChI
InChI=1S/C10H10O3/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h1,3-6,11H,2,7H2/b5-1+
InChIKey
GIGHYJQRMLZPOZ-ORCRQEGFSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)prop-1-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.06299 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07027 135.4
[M+Na]+ 201.05221 147.5
[M+NH4]+ 196.09681 143.9
[M+K]+ 217.02615 143.7
[M-H]- 177.05571 139.3
[M+Na-2H]- 199.03766 139.4
[M]+ 178.06244 138.1
[M]- 178.06354 138.1
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.