CID 529885

1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol

Structural Information

Molecular Formula
C10H18O2
SMILES
CC1(C2CCC(O1)(C(C2)O)C)C
InChI
InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7-8,11H,4-6H2,1-3H3
InChIKey
YVCUGZBVCHODNB-UHFFFAOYSA-N
Compound name
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

42
Patents

170.13068 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 137.2
[M+Na]+ 193.11990 147.5
[M+NH4]+ 188.16450 150.9
[M+K]+ 209.09384 137.6
[M-H]- 169.12340 136.7
[M+Na-2H]- 191.10535 137.3
[M]+ 170.13013 138.9
[M]- 170.13123 138.9
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