CID 12377464

4-cyclopentadecyn-1-one

Structural Information

Molecular Formula
C15H24O
SMILES
C1CCCCCC(=O)CCC#CCCCC1
InChI
InChI=1S/C15H24O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-7,9,11-14H2
InChIKey
LAUIIEUKTSCRDN-UHFFFAOYSA-N
Compound name
cyclopentadec-4-yn-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

220.18271 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 154.3
[M+Na]+ 243.171928 154.5
[M-H]- 219.175434 154.4
[M+NH4]+ 238.216533 168.8
[M+K]+ 259.145868 153.5
[M+H-H2O]+ 203.179970 151.2
[M+HCOO]- 265.180911 169.2
[M+CH3COO]- 279.196561 180.5
[M+Na-2H]- 241.157376 154.6
[M]+ 220.18216142 141.2
[M]- 220.18325858 141.2
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