CID 122558

4,9-decadienal, 2,5,9-trimethyl-

Structural Information

Molecular Formula
C13H22O
SMILES
CC(CC=C(C)CCCC(=C)C)C=O
InChI
InChI=1S/C13H22O/c1-11(2)6-5-7-12(3)8-9-13(4)10-14/h8,10,13H,1,5-7,9H2,2-4H3
InChIKey
MINJGYRWHNAENM-UHFFFAOYSA-N
Compound name
2,5,9-trimethyldeca-4,9-dienal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

194.16707 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.174346 149.9
[M+Na]+ 217.156288 154.6
[M-H]- 193.159794 149.4
[M+NH4]+ 212.200893 169.4
[M+K]+ 233.130228 152.6
[M+H-H2O]+ 177.164330 144.9
[M+HCOO]- 239.165271 169.3
[M+CH3COO]- 253.180921 189.5
[M+Na-2H]- 215.141736 149.7
[M]+ 194.16652142 151.2
[M]- 194.16761858 151.2
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