CID 56936099

(7z,9e)-2-methyl-7,9-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

1
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

patents stripe