CID 5315941

Civetone

Structural Information

Molecular Formula
C17H30O
SMILES
C1CCC/C=C\CCCCCCCC(=O)CCC1
InChI
InChI=1S/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2/b2-1-
InChIKey
ZKVZSBSZTMPBQR-UPHRSURJSA-N
Compound name
(9Z)-cycloheptadec-9-en-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

3185
Patents

250.22966 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.23694 162.2
[M+Na]+ 273.21888 171.4
[M+NH4]+ 268.26348 170.1
[M+K]+ 289.19282 163.4
[M-H]- 249.22238 166.5
[M+Na-2H]- 271.20433 168.4
[M]+ 250.22911 164.2
[M]- 250.23021 164.2
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