CID 6115325

2,4-diethylhepta-2,6-dienal

Structural Information

Molecular Formula
C11H18O
SMILES
CCC(CC=C)/C=C(\CC)/C=O
InChI
InChI=1S/C11H18O/c1-4-7-10(5-2)8-11(6-3)9-12/h4,8-10H,1,5-7H2,2-3H3/b11-8+
InChIKey
QAFGEOHWEQLURJ-DHZHZOJOSA-N
Compound name
(2E)-2,4-diethylhepta-2,6-dienal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

222
Patents

166.13577 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 140.6
[M+Na]+ 189.12499 146.4
[M-H]- 165.12849 140.4
[M+NH4]+ 184.16959 161.3
[M+K]+ 205.09893 144.4
[M+H-H2O]+ 149.13303 135.8
[M+HCOO]- 211.13397 161.7
[M+CH3COO]- 225.14962 182.6
[M+Na-2H]- 187.11044 142.7
[M]+ 166.13522 141.8
[M]- 166.13632 141.8
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