CID 12304811

Kessyl glycol

Structural Information

Molecular Formula
C15H26O3
SMILES
CC1CC(C2C1CC3C(CC2(OC3(C)C)C)O)O
InChI
InChI=1S/C15H26O3/c1-8-5-11(16)13-9(8)6-10-12(17)7-15(13,4)18-14(10,2)3/h8-13,16-17H,5-7H2,1-4H3
InChIKey
HMTVXYYWICMXMY-UHFFFAOYSA-N
Compound name
1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,12-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

41
Patents

254.1882 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.19548 166.6
[M+Na]+ 277.17742 175.4
[M-H]- 253.18092 168.9
[M+NH4]+ 272.22202 188.6
[M+K]+ 293.15136 169.5
[M+H-H2O]+ 237.18546 167.1
[M+HCOO]- 299.18640 173.5
[M+CH3COO]- 313.20205 175.6
[M+Na-2H]- 275.16287 171.8
[M]+ 254.18765 165.5
[M]- 254.18875 165.5
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