CID 12045806

2-(2-thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene

Structural Information

Molecular Formula
C12H12O2S
SMILES
C1CC2(C=C/C(=C\C3=CC=CS3)/O2)OC1
InChI
InChI=1S/C12H12O2S/c1-3-11(15-8-1)9-10-4-6-12(14-10)5-2-7-13-12/h1,3-4,6,8-9H,2,5,7H2/b10-9+
InChIKey
LLZQYUSTIRVCPF-MDZDMXLPSA-N
Compound name
(2E)-2-(thiophen-2-ylmethylidene)-1,6-dioxaspiro[4.4]non-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0558 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.063076 148.9
[M+Na]+ 243.045018 157.9
[M-H]- 219.048524 159.8
[M+NH4]+ 238.089623 172.8
[M+K]+ 259.018958 157.6
[M+H-H2O]+ 203.053060 146.2
[M+HCOO]- 265.054001 167.9
[M+CH3COO]- 279.069651 163.3
[M+Na-2H]- 241.030466 150.0
[M]+ 220.05525142 150.3
[M]- 220.05634858 150.3
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

No patent data available for this compound.