CID 6441956

2,4,4,7-tetramethylnona-6,8-dien-3-one

Structural Information

Molecular Formula
C13H22O
SMILES
CC(C)C(=O)C(C)(C)C/C=C(\C)/C=C
InChI
InChI=1S/C13H22O/c1-7-11(4)8-9-13(5,6)12(14)10(2)3/h7-8,10H,1,9H2,2-6H3/b11-8+
InChIKey
TWJFINAHYOYYOB-DHZHZOJOSA-N
Compound name
(6E)-2,4,4,7-tetramethylnona-6,8-dien-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

91
Patents

194.16707 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.17435 147.6
[M+Na]+ 217.15629 152.9
[M-H]- 193.15979 147.5
[M+NH4]+ 212.20089 167.4
[M+K]+ 233.13023 151.3
[M+H-H2O]+ 177.16433 143.4
[M+HCOO]- 239.16527 165.6
[M+CH3COO]- 253.18092 189.7
[M+Na-2H]- 215.14174 148.3
[M]+ 194.16652 148.6
[M]- 194.16762 148.6
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