CID 6437042

53042-78-7

Structural Information

Molecular Formula
C18H30O2
SMILES
CCCC/C=C/CCC#CCCCCCCOC(=O)C
InChI
InChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h6-7H,3-5,8-9,12-17H2,1-2H3/b7-6+
InChIKey
APXMIZDFQAAIJF-VOTSOKGWSA-N
Compound name
[(E)-hexadec-11-en-7-ynyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

278.22458 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.23186 169.0
[M+Na]+ 301.21380 177.5
[M+NH4]+ 296.25840 171.3
[M+K]+ 317.18774 166.9
[M-H]- 277.21730 159.8
[M+Na-2H]- 299.19925 167.4
[M]+ 278.22403 166.5
[M]- 278.22513 166.5
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