CID 171118626

14-methylnonadec-(4e)-en-1-yn-3-one

Structural Information

Molecular Formula
C20H34O
SMILES
CCCCCC(C)CCCCCCCC/C=C/C(=O)C#C
InChI
InChI=1S/C20H34O/c1-4-6-13-16-19(3)17-14-11-9-7-8-10-12-15-18-20(21)5-2/h2,15,18-19H,4,6-14,16-17H2,1,3H3/b18-15+
InChIKey
OVLLFMGLNAJSEC-OBGWFSINSA-N
Compound name
(E)-14-methylnonadec-4-en-1-yn-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.26096 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26824 173.7
[M+Na]+ 313.25018 178.5
[M-H]- 289.25368 171.6
[M+NH4]+ 308.29478 187.8
[M+K]+ 329.22412 173.6
[M+H-H2O]+ 273.25822 161.5
[M+HCOO]- 335.25916 186.8
[M+CH3COO]- 349.27481 214.1
[M+Na-2H]- 311.23563 171.3
[M]+ 290.26041 172.8
[M]- 290.26151 172.8
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.