CID 155905851

15786-28-4

Structural Information

Molecular Formula
C12H22O2
SMILES
CCC/C=C/CC/C=C\CC(CO)O
InChI
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3/b5-4+,9-8-
InChIKey
HSPMOWPUOOGIDA-PXJZJIAOSA-N
Compound name
(4Z,8E)-dodeca-4,8-diene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.16199 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.16927 151.7
[M+Na]+ 221.15121 156.1
[M-H]- 197.15471 148.2
[M+NH4]+ 216.19581 169.8
[M+K]+ 237.12515 152.7
[M+H-H2O]+ 181.15925 146.7
[M+HCOO]- 243.16019 170.5
[M+CH3COO]- 257.17584 181.6
[M+Na-2H]- 219.13666 153.3
[M]+ 198.16144 152.1
[M]- 198.16254 152.1
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

No patent data available for this compound.