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 163.4
[M+Na]+ 261.18250 172.0
[M-H]- 237.18600 166.4
[M+NH4]+ 256.22710 186.2
[M+K]+ 277.15644 165.5
[M+H-H2O]+ 221.19054 163.5
[M+HCOO]- 283.19148 171.4
[M+CH3COO]- 297.20713 172.8
[M+Na-2H]- 259.16795 169.0
[M]+ 238.19273 162.0
[M]- 238.19383 162.0
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