CID 68150

3,7,11-trimethyldodeca-2,6,10-trienal

Structural Information

Molecular Formula
C15H24O
SMILES
CC(=CCCC(=CCCC(=CC=O)C)C)C
InChI
InChI=1S/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3
InChIKey
YHRUHBBTQZKMEX-UHFFFAOYSA-N
Compound name
3,7,11-trimethyldodeca-2,6,10-trienal
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

22
References

1738
Patents

220.18271 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 157.7
[M+Na]+ 243.171928 162.1
[M-H]- 219.175434 157.0
[M+NH4]+ 238.216533 176.3
[M+K]+ 259.145868 159.0
[M+H-H2O]+ 203.179970 152.5
[M+HCOO]- 265.180911 176.8
[M+CH3COO]- 279.196561 193.3
[M+Na-2H]- 241.157376 156.5
[M]+ 220.18216142 159.0
[M]- 220.18325858 159.0
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