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

3725
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

literature stripe

Patent stripe

patents stripe