CID 10422558

Hydroperoxide, (4ar,14ar)-tetradecahydro-14ah-cyclododeca(b)pyran-14a-yl, rel-

Structural Information

Molecular Formula
C15H28O3
SMILES
C1CCCCCC2(C(CCCC1)CCCO2)OO
InChI
InChI=1S/C15H28O3/c16-18-15-12-8-6-4-2-1-3-5-7-10-14(15)11-9-13-17-15/h14,16H,1-13H2
InChIKey
QJOTXZRMMLQXTG-UHFFFAOYSA-N
Compound name
14a-hydroperoxy-2,3,4,4a,5,6,7,8,9,10,11,12,13,14-tetradecahydrocyclododeca[b]pyran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

29
Patents

256.20386 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.21114 162.1
[M+Na]+ 279.19308 162.5
[M-H]- 255.19658 161.3
[M+NH4]+ 274.23768 176.3
[M+K]+ 295.16702 162.7
[M+H-H2O]+ 239.20112 159.0
[M+HCOO]- 301.20206 172.6
[M+CH3COO]- 315.21771 184.2
[M+Na-2H]- 277.17853 164.9
[M]+ 256.20331 150.6
[M]- 256.20441 150.6
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