CID 6447014

2-(1,3-benzodioxol-5-ylmethylene)cyclopentanol

Structural Information

Molecular Formula
C13H14O3
SMILES
C1CC(/C(=C/C2=CC3=C(C=C2)OCO3)/C1)O
InChI
InChI=1S/C13H14O3/c14-11-3-1-2-10(11)6-9-4-5-12-13(7-9)16-8-15-12/h4-7,11,14H,1-3,8H2/b10-6+
InChIKey
PQLVLMKIYAPVBL-UXBLZVDNSA-N
Compound name
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.10158 146.9
[M+Na]+ 241.08352 157.9
[M+NH4]+ 236.12812 155.7
[M+K]+ 257.05746 156.0
[M-H]- 217.08702 152.3
[M+Na-2H]- 239.06897 150.4
[M]+ 218.09375 149.8
[M]- 218.09485 149.8
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.