CID 6436989

65405-73-4

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

1367
Patents

196.14633 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 148.7
[M+Na]+ 219.135548 154.1
[M-H]- 195.139054 148.3
[M+NH4]+ 214.180153 168.2
[M+K]+ 235.109488 152.4
[M+H-H2O]+ 179.143590 143.5
[M+HCOO]- 241.144531 169.7
[M+CH3COO]- 255.160181 186.9
[M+Na-2H]- 217.120996 150.2
[M]+ 196.14578142 151.7
[M]- 196.14687858 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