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 146.7
[M+Na]+ 241.08352 153.9
[M-H]- 217.08702 154.2
[M+NH4]+ 236.12812 166.4
[M+K]+ 257.05746 152.4
[M+H-H2O]+ 201.09156 142.4
[M+HCOO]- 263.09250 166.0
[M+CH3COO]- 277.10815 159.8
[M+Na-2H]- 239.06897 150.0
[M]+ 218.09375 145.4
[M]- 218.09485 145.4
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.