CID 445128

Bombykol

Structural Information

Molecular Formula
C16H30O
SMILES
CCC/C=C\C=C\CCCCCCCCCO
InChI
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,17H,2-3,8-16H2,1H3/b5-4-,7-6+
InChIKey
CIVIWCVVOFNUST-SCFJQAPRSA-N
Compound name
(10E,12Z)-hexadeca-10,12-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

52
References

238
Patents

238.22966 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.23694 164.6
[M+Na]+ 261.21888 173.3
[M+NH4]+ 256.26348 170.9
[M+K]+ 277.19282 164.6
[M-H]- 237.22238 163.4
[M+Na-2H]- 259.20433 165.9
[M]+ 238.22911 165.2
[M]- 238.23021 165.2
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