CID 10888854

Tridec-12-en-2-one

Structural Information

Molecular Formula
C13H24O
SMILES
CC(=O)CCCCCCCCCC=C
InChI
InChI=1S/C13H24O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3H,1,4-12H2,2H3
InChIKey
UYCZPLKICNDOCL-UHFFFAOYSA-N
Compound name
tridec-12-en-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

17
Patents

196.18271 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.18999 151.2
[M+Na]+ 219.17193 156.0
[M-H]- 195.17543 150.4
[M+NH4]+ 214.21653 170.8
[M+K]+ 235.14587 153.7
[M+H-H2O]+ 179.17997 145.8
[M+HCOO]- 241.18091 172.4
[M+CH3COO]- 255.19656 189.5
[M+Na-2H]- 217.15738 153.4
[M]+ 196.18216 154.6
[M]- 196.18326 154.6
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