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

1281
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 148.7
[M+Na]+ 219.13555 154.1
[M-H]- 195.13905 148.3
[M+NH4]+ 214.18015 168.2
[M+K]+ 235.10949 152.4
[M+H-H2O]+ 179.14359 143.5
[M+HCOO]- 241.14453 169.7
[M+CH3COO]- 255.16018 186.9
[M+Na-2H]- 217.12100 150.2
[M]+ 196.14578 151.7
[M]- 196.14688 151.7
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