CID 11055085

9-methylenenonadecane

Structural Information

Molecular Formula
C20H40
SMILES
CCCCCCCCCCC(=C)CCCCCCCC
InChI
InChI=1S/C20H40/c1-4-6-8-10-12-13-15-17-19-20(3)18-16-14-11-9-7-5-2/h3-19H2,1-2H3
InChIKey
NEAFLGWVOVUKRO-UHFFFAOYSA-N
Compound name
9-methylidenenonadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

355
Patents

280.313 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.320276 181.5
[M+Na]+ 303.302218 183.1
[M-H]- 279.305724 179.3
[M+NH4]+ 298.346823 197.8
[M+K]+ 319.276158 179.0
[M+H-H2O]+ 263.310260 174.8
[M+HCOO]- 325.311201 199.9
[M+CH3COO]- 339.326851 209.5
[M+Na-2H]- 301.287666 179.9
[M]+ 280.31245142 186.8
[M]- 280.31354858 186.8
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