CID 6366569

6,8,8-trimethylnona-2,5-dien-4-one

Structural Information

Molecular Formula
C12H20O
SMILES
C/C=C/C(=O)/C=C(\C)/CC(C)(C)C
InChI
InChI=1S/C12H20O/c1-6-7-11(13)8-10(2)9-12(3,4)5/h6-8H,9H2,1-5H3/b7-6+,10-8+
InChIKey
RRGOJMZSOZFVKM-LQPGMRSMSA-N
Compound name
(2E,5E)-6,8,8-trimethylnona-2,5-dien-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.15141 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.15869 144.0
[M+Na]+ 203.14063 150.1
[M-H]- 179.14413 144.1
[M+NH4]+ 198.18523 164.6
[M+K]+ 219.11457 148.3
[M+H-H2O]+ 163.14867 139.9
[M+HCOO]- 225.14961 163.4
[M+CH3COO]- 239.16526 184.5
[M+Na-2H]- 201.12608 146.4
[M]+ 180.15086 145.1
[M]- 180.15196 145.1
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.