CID 170687

Tetradecahydrocyclododeca[c]furan

Structural Information

Molecular Formula
C14H26O
SMILES
C1CCCCCC2COCC2CCCC1
InChI
InChI=1S/C14H26O/c1-2-4-6-8-10-14-12-15-11-13(14)9-7-5-3-1/h13-14H,1-12H2
InChIKey
ZOMKNVYKXOZLFE-UHFFFAOYSA-N
Compound name
1,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[c]furan
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
Patents

210.19836 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.205636 149.0
[M+Na]+ 233.187578 150.2
[M-H]- 209.191084 149.8
[M+NH4]+ 228.232183 165.8
[M+K]+ 249.161518 150.4
[M+H-H2O]+ 193.195620 146.3
[M+HCOO]- 255.196561 163.2
[M+CH3COO]- 269.212211 158.4
[M+Na-2H]- 231.173026 150.3
[M]+ 210.19781142 138.0
[M]- 210.19890858 138.0
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