CID 111234

Undecanal, 2-ethylidene-

Structural Information

Molecular Formula
C13H24O
SMILES
CCCCCCCCCC(=CC)C=O
InChI
InChI=1S/C13H24O/c1-3-5-6-7-8-9-10-11-13(4-2)12-14/h4,12H,3,5-11H2,1-2H3
InChIKey
UDHFJAGCBKZYMB-UHFFFAOYSA-N
Compound name
2-ethylideneundecanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

196.18271 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 151.4
[M+Na]+ 219.171928 156.3
[M-H]- 195.175434 150.7
[M+NH4]+ 214.216533 171.1
[M+K]+ 235.145868 154.0
[M+H-H2O]+ 179.179970 146.1
[M+HCOO]- 241.180911 172.7
[M+CH3COO]- 255.196561 188.8
[M+Na-2H]- 217.157376 153.6
[M]+ 196.18216142 154.8
[M]- 196.18325858 154.8
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