CID 44256580

3-oxo-13-tetradecenal

Structural Information

Molecular Formula
C14H24O2
SMILES
C=CCCCCCCCCCC(=O)CC=O
InChI
InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h2,13H,1,3-12H2
InChIKey
TYOAURLJFNKILJ-UHFFFAOYSA-N
Compound name
3-oxotetradec-13-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

224.17763 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.18491 157.2
[M+Na]+ 247.16685 161.8
[M-H]- 223.17035 156.2
[M+NH4]+ 242.21145 175.5
[M+K]+ 263.14079 159.0
[M+H-H2O]+ 207.17489 151.4
[M+HCOO]- 269.17583 178.5
[M+CH3COO]- 283.19148 193.5
[M+Na-2H]- 245.15230 158.9
[M]+ 224.17708 161.7
[M]- 224.17818 161.7
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