CID 108456

2,4,8-decatrienal, 2,5,9-trimethyl-

Structural Information

Molecular Formula
C13H20O
SMILES
CC(=CCCC(=CC=C(C)C=O)C)C
InChI
InChI=1S/C13H20O/c1-11(2)6-5-7-12(3)8-9-13(4)10-14/h6,8-10H,5,7H2,1-4H3
InChIKey
OJDRPIWXVLQYBO-UHFFFAOYSA-N
Compound name
2,5,9-trimethyldeca-2,4,8-trienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.15141 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 148.4
[M+Na]+ 215.14063 153.6
[M-H]- 191.14413 148.0
[M+NH4]+ 210.18523 168.1
[M+K]+ 231.11457 151.0
[M+H-H2O]+ 175.14867 143.5
[M+HCOO]- 237.14961 168.1
[M+CH3COO]- 251.16526 187.2
[M+Na-2H]- 213.12608 148.2
[M]+ 192.15086 148.9
[M]- 192.15196 148.9
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

No patent data available for this compound.