CID 75477

Cyclohexanol, 1,1'-dioxybis-

Structural Information

Molecular Formula
C12H22O4
SMILES
C1CCC(CC1)(O)OOC2(CCCCC2)O
InChI
InChI=1S/C12H22O4/c13-11(7-3-1-4-8-11)15-16-12(14)9-5-2-6-10-12/h13-14H,1-10H2
InChIKey
ZPOUDMYDJJMHOO-UHFFFAOYSA-N
Compound name
1-(1-hydroxycyclohexyl)peroxycyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

924
Patents

230.15181 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.15909 155.6
[M+Na]+ 253.14103 157.8
[M-H]- 229.14453 157.9
[M+NH4]+ 248.18563 175.1
[M+K]+ 269.11497 156.6
[M+H-H2O]+ 213.14907 149.9
[M+HCOO]- 275.15001 169.7
[M+CH3COO]- 289.16566 180.7
[M+Na-2H]- 251.12648 160.0
[M]+ 230.15126 148.3
[M]- 230.15236 148.3
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