CID 9248

13-oxabicyclo[10.1.0]tridecane

Structural Information

Molecular Formula
C12H22O
SMILES
C1CCCCCC2C(O2)CCCC1
InChI
InChI=1S/C12H22O/c1-2-4-6-8-10-12-11(13-12)9-7-5-3-1/h11-12H,1-10H2
InChIKey
VLJLXEKIAALSJE-UHFFFAOYSA-N
Compound name
13-oxabicyclo[10.1.0]tridecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2008
Patents

182.16707 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.174346 136.9
[M+Na]+ 205.156288 141.7
[M-H]- 181.159794 139.6
[M+NH4]+ 200.200893 148.9
[M+K]+ 221.130228 143.1
[M+H-H2O]+ 165.164330 134.2
[M+HCOO]- 227.165271 153.0
[M+CH3COO]- 241.180921 147.6
[M+Na-2H]- 203.141736 142.4
[M]+ 182.16652142 131.4
[M]- 182.16761858 131.4
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