CID 394534

Nsc698079

Structural Information

Molecular Formula
C12H18O5
SMILES
CC(C)OC1=C(C(C12OCCO2)O)CC(=O)C
InChI
InChI=1S/C12H18O5/c1-7(2)17-11-9(6-8(3)13)10(14)12(11)15-4-5-16-12/h7,10,14H,4-6H2,1-3H3
InChIKey
CJJMYVHCQGSWTN-UHFFFAOYSA-N
Compound name
1-(1-hydroxy-3-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-2-en-2-yl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.11542 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.12270 148.8
[M+Na]+ 265.10464 153.8
[M-H]- 241.10814 154.5
[M+NH4]+ 260.14924 160.7
[M+K]+ 281.07858 158.4
[M+H-H2O]+ 225.11268 140.3
[M+HCOO]- 287.11362 165.6
[M+CH3COO]- 301.12927 193.1
[M+Na-2H]- 263.09009 151.7
[M]+ 242.11487 161.1
[M]- 242.11597 161.1
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.