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
2
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]+ 181.158686 144.0
[M+Na]+ 203.140628 150.1
[M-H]- 179.144134 144.1
[M+NH4]+ 198.185233 164.6
[M+K]+ 219.114568 148.3
[M+H-H2O]+ 163.148670 139.9
[M+HCOO]- 225.149611 163.4
[M+CH3COO]- 239.165261 184.5
[M+Na-2H]- 201.126076 146.4
[M]+ 180.15086142 145.1
[M]- 180.15195858 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.