CID 494949

Nsc638477

Structural Information

Molecular Formula
C14H24O4
SMILES
CCC1CCC23C(C1)CCC(OC2OC)(OO3)C
InChI
InChI=1S/C14H24O4/c1-4-10-5-8-14-11(9-10)6-7-13(2,17-18-14)16-12(14)15-3/h10-12H,4-9H2,1-3H3
InChIKey
KEIDSQCOSRXAKP-UHFFFAOYSA-N
Compound name
4-ethyl-12-methoxy-9-methyl-10,11,13-trioxatricyclo[7.2.2.01,6]tridecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.16745 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17473 156.7
[M+Na]+ 279.15667 163.9
[M-H]- 255.16017 160.9
[M+NH4]+ 274.20127 175.4
[M+K]+ 295.13061 161.8
[M+H-H2O]+ 239.16471 155.3
[M+HCOO]- 301.16565 163.5
[M+CH3COO]- 315.18130 166.1
[M+Na-2H]- 277.14212 167.0
[M]+ 256.16690 157.6
[M]- 256.16800 157.6
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.