CID 22129412

85266-53-1

Structural Information

Molecular Formula
C13H20O4
SMILES
CC(=C)C(=O)OCC1COC2(O1)CCCCC2
InChI
InChI=1S/C13H20O4/c1-10(2)12(14)15-8-11-9-16-13(17-11)6-4-3-5-7-13/h11H,1,3-9H2,2H3
InChIKey
QCYRRLREHQZCCZ-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.5]decan-3-ylmethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

240.13615 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.143426 156.3
[M+Na]+ 263.125368 159.8
[M-H]- 239.128874 161.8
[M+NH4]+ 258.169973 174.6
[M+K]+ 279.099308 161.0
[M+H-H2O]+ 223.133410 151.2
[M+HCOO]- 285.134351 171.8
[M+CH3COO]- 299.150001 188.5
[M+Na-2H]- 261.110816 158.7
[M]+ 240.13560142 153.9
[M]- 240.13669858 153.9
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

patents stripe