CID 99563

32539-83-6

Structural Information

Molecular Formula
C15H26O
SMILES
C1CCCCCC2=C(CCCC1)CCCO2
InChI
InChI=1S/C15H26O/c1-2-4-6-8-12-15-14(10-7-5-3-1)11-9-13-16-15/h1-13H2
InChIKey
VJRVVBJENDJBLJ-UHFFFAOYSA-N
Compound name
3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-2H-cyclododeca[b]pyran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

58
Patents

222.19836 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 152.9
[M+Na]+ 245.18758 163.3
[M+NH4]+ 240.23218 162.1
[M+K]+ 261.16152 155.5
[M-H]- 221.19108 158.3
[M+Na-2H]- 243.17303 157.9
[M]+ 222.19781 155.6
[M]- 222.19891 155.6
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