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
3
Annotation Hits

0
References

69
Patents

222.19836 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 151.7
[M+Na]+ 245.187578 152.6
[M-H]- 221.191084 152.4
[M+NH4]+ 240.232183 166.2
[M+K]+ 261.161518 152.3
[M+H-H2O]+ 205.195620 148.3
[M+HCOO]- 267.196561 164.9
[M+CH3COO]- 281.212211 160.5
[M+Na-2H]- 243.173026 155.0
[M]+ 222.19781142 140.2
[M]- 222.19890858 140.2
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