CID 93694

1,5,7,11-tetraoxaspiro(5.5)undecane, 3-methylene-

Structural Information

Molecular Formula
C8H12O4
SMILES
C=C1COC2(OCCCO2)OC1
InChI
InChI=1S/C8H12O4/c1-7-5-11-8(12-6-7)9-3-2-4-10-8/h1-6H2
InChIKey
OGWFRFMHFVZWTI-UHFFFAOYSA-N
Compound name
3-methylidene-1,5,7,11-tetraoxaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

172.07356 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 134.4
[M+Na]+ 195.06278 139.5
[M-H]- 171.06628 141.7
[M+NH4]+ 190.10738 151.0
[M+K]+ 211.03672 143.7
[M+H-H2O]+ 155.07082 129.0
[M+HCOO]- 217.07176 149.3
[M+CH3COO]- 231.08741 174.8
[M+Na-2H]- 193.04823 144.8
[M]+ 172.07301 131.5
[M]- 172.07411 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe