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

4
Patents

238.19328 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 163.4
[M+Na]+ 261.182498 172.0
[M-H]- 237.186004 166.4
[M+NH4]+ 256.227103 186.2
[M+K]+ 277.156438 165.5
[M+H-H2O]+ 221.190540 163.5
[M+HCOO]- 283.191481 171.4
[M+CH3COO]- 297.207131 172.8
[M+Na-2H]- 259.167946 169.0
[M]+ 238.19273142 162.0
[M]- 238.19382858 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