CID 57104500

8-cycloheptadecen-1-one

Structural Information

Molecular Formula
C17H30O
SMILES
C1CCCCC(=O)CCCCCCC=CCCC1
InChI
InChI=1S/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1,3H,2,4-16H2
InChIKey
QSWNSWNAYLZTEC-UHFFFAOYSA-N
Compound name
cycloheptadec-8-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
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 161.6
[M+Na]+ 273.21888 161.3
[M-H]- 249.22238 162.1
[M+NH4]+ 268.26348 174.7
[M+K]+ 289.19282 159.7
[M+H-H2O]+ 233.22692 158.2
[M+HCOO]- 295.22786 176.0
[M+CH3COO]- 309.24351 184.5
[M+Na-2H]- 271.20433 161.2
[M]+ 250.22911 147.7
[M]- 250.23021 147.7
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