CID 44224057

4-methylocta-2,4,6-trienedial

Structural Information

Molecular Formula
C9H10O2
SMILES
C/C(=C\C=C\C=O)/C=C/C=O
InChI
InChI=1S/C9H10O2/c1-9(6-4-8-11)5-2-3-7-10/h2-8H,1H3/b3-2+,6-4+,9-5+
InChIKey
HLZZDTVXNYNFKH-BNFXUGDESA-N
Compound name
(2E,4E,6E)-4-methylocta-2,4,6-trienedial
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5
Patents

150.06808 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 131.1
[M+Na]+ 173.05730 138.7
[M-H]- 149.06080 131.3
[M+NH4]+ 168.10190 152.5
[M+K]+ 189.03124 136.1
[M+H-H2O]+ 133.06534 126.7
[M+HCOO]- 195.06628 154.6
[M+CH3COO]- 209.08193 174.4
[M+Na-2H]- 171.04275 135.7
[M]+ 150.06753 132.2
[M]- 150.06863 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe