CID 44256569

8e-hydroxy-4,8-dimethyl-4,9-decadienal

Structural Information

Molecular Formula
C12H20O2
SMILES
C/C(=C\CCC(C)(C=C)O)/CCC=O
InChI
InChI=1S/C12H20O2/c1-4-12(3,14)9-5-7-11(2)8-6-10-13/h4,7,10,14H,1,5-6,8-9H2,2-3H3/b11-7+
InChIKey
YHHPBYNAHAIMNQ-YRNVUSSQSA-N
Compound name
(4E)-8-hydroxy-4,8-dimethyldeca-4,9-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

196.14633 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 148.5
[M+Na]+ 219.13555 154.1
[M-H]- 195.13905 146.8
[M+NH4]+ 214.18015 167.4
[M+K]+ 235.10949 151.3
[M+H-H2O]+ 179.14359 144.1
[M+HCOO]- 241.14453 167.4
[M+CH3COO]- 255.16018 184.3
[M+Na-2H]- 217.12100 151.5
[M]+ 196.14578 149.8
[M]- 196.14688 149.8
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