CID 5283322

(4e)-hepta-4,6-dienal

Structural Information

Molecular Formula
C7H10O
SMILES
C=C/C=C/CCC=O
InChI
InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h2-4,7H,1,5-6H2/b4-3+
InChIKey
LRXHBCFIMDSOLD-ONEGZZNKSA-N
Compound name
(4E)-hepta-4,6-dienal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

12
Patents

110.073166 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.080442 121.4
[M+Na]+ 133.062384 129.2
[M-H]- 109.065890 121.7
[M+NH4]+ 128.106989 144.5
[M+K]+ 149.036324 127.6
[M+H-H2O]+ 93.070426 117.3
[M+HCOO]- 155.071367 145.8
[M+CH3COO]- 169.087017 168.8
[M+Na-2H]- 131.047832 128.3
[M]+ 110.07261742 122.4
[M]- 110.07371458 122.4
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