CID 318771

Alpha-kessyl alcohol

Structural Information

Molecular Formula
C15H26O2
SMILES
CC1CC(C2C1CC3CCC2(OC3(C)C)C)O
InChI
InChI=1S/C15H26O2/c1-9-7-12(16)13-11(9)8-10-5-6-15(13,4)17-14(10,2)3/h9-13,16H,5-8H2,1-4H3
InChIKey
ZADVMZUKWWMSLQ-UHFFFAOYSA-N
Compound name
1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

238.19328 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 143.0
[M+Na]+ 261.18250 147.0
[M+NH4]+ 256.22710 151.9
[M+K]+ 277.15644 144.5
[M-H]- 237.18600 142.1
[M+Na-2H]- 259.16795 142.2
[M]+ 238.19273 143.5
[M]- 238.19383 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe