CID 6436989

{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}acetaldehyde

Structural Information

Molecular Formula
C12H20O2
SMILES
CC(=CCC/C(=C/COCC=O)/C)C
InChI
InChI=1S/C12H20O2/c1-11(2)5-4-6-12(3)7-9-14-10-8-13/h5,7-8H,4,6,9-10H2,1-3H3/b12-7+
InChIKey
LAUVMIDRJMQUQL-KPKJPENVSA-N
Compound name
2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1246
Patents

196.14633 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 149.2
[M+Na]+ 219.13555 158.2
[M+NH4]+ 214.18015 155.5
[M+K]+ 235.10949 152.1
[M-H]- 195.13905 147.5
[M+Na-2H]- 217.12100 150.8
[M]+ 196.14578 149.6
[M]- 196.14688 149.6
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