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]+ 221.06308 148.9
[M+Na]+ 243.04502 157.9
[M-H]- 219.04852 159.8
[M+NH4]+ 238.08962 172.8
[M+K]+ 259.01896 157.6
[M+H-H2O]+ 203.05306 146.2
[M+HCOO]- 265.05400 167.9
[M+CH3COO]- 279.06965 163.3
[M+Na-2H]- 241.03047 150.0
[M]+ 220.05525 150.3
[M]- 220.05635 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.