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]+ 195.174346 147.6
[M+Na]+ 217.156288 152.9
[M-H]- 193.159794 147.5
[M+NH4]+ 212.200893 167.4
[M+K]+ 233.130228 151.3
[M+H-H2O]+ 177.164330 143.4
[M+HCOO]- 239.165271 165.6
[M+CH3COO]- 253.180921 189.7
[M+Na-2H]- 215.141736 148.3
[M]+ 194.16652142 148.6
[M]- 194.16761858 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