CID 61718

14228-73-0

Structural Information

Molecular Formula
C14H24O4
SMILES
C1CC(CCC1COCC2CO2)COCC3CO3
InChI
InChI=1S/C14H24O4/c1-2-12(6-16-8-14-10-18-14)4-3-11(1)5-15-7-13-9-17-13/h11-14H,1-10H2
InChIKey
VQMQXWYQIIUJIT-UHFFFAOYSA-N
Compound name
2-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxymethyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3868
Patents

256.16745 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17473 165.5
[M+Na]+ 279.15667 170.0
[M-H]- 255.16017 175.2
[M+NH4]+ 274.20127 169.2
[M+K]+ 295.13061 171.8
[M+H-H2O]+ 239.16471 157.9
[M+HCOO]- 301.16565 180.8
[M+CH3COO]- 315.18130 204.5
[M+Na-2H]- 277.14212 168.2
[M]+ 256.16690 171.2
[M]- 256.16800 171.2
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.