CID 56936099

2-methyl-7z,9e-octadecadiene

Structural Information

Molecular Formula
C19H36
SMILES
CCCCCCCC/C=C/C=C\CCCCC(C)C
InChI
InChI=1S/C19H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h11-14,19H,4-10,15-18H2,1-3H3/b12-11+,14-13-
InChIKey
RFMGIWIKGFYQFJ-WCYNZMGESA-N
Compound name
(7Z,9E)-2-methyloctadeca-7,9-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.2817 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.28898 175.7
[M+Na]+ 287.27092 178.1
[M-H]- 263.27442 173.8
[M+NH4]+ 282.31552 192.7
[M+K]+ 303.24486 173.7
[M+H-H2O]+ 247.27896 169.3
[M+HCOO]- 309.27990 194.6
[M+CH3COO]- 323.29555 204.3
[M+Na-2H]- 285.25637 174.6
[M]+ 264.28115 179.7
[M]- 264.28225 179.7
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

No patent data available for this compound.