CID 53437364

N,n-dimethyloctadeca-9,12-dienamide

Structural Information

Molecular Formula
C20H37NO
SMILES
CCCCCC=CCC=CCCCCCCCC(=O)N(C)C
InChI
InChI=1S/C20H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)3/h8-9,11-12H,4-7,10,13-19H2,1-3H3
InChIKey
LCUQUVLUBPUQOI-UHFFFAOYSA-N
Compound name
N,N-dimethyloctadeca-9,12-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

307.2875 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.29478 186.5
[M+Na]+ 330.27672 188.2
[M-H]- 306.28022 185.9
[M+NH4]+ 325.32132 202.0
[M+K]+ 346.25066 184.7
[M+H-H2O]+ 290.28476 179.2
[M+HCOO]- 352.28570 207.1
[M+CH3COO]- 366.30135 215.8
[M+Na-2H]- 328.26217 184.4
[M]+ 307.28695 192.1
[M]- 307.28805 192.1
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