CID 5318516

Pellitorine

Structural Information

Molecular Formula
C14H25NO
SMILES
CCCCC/C=C/C=C/C(=O)NCC(C)C
InChI
InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8+,11-10+
InChIKey
MAGQQZHFHJDIRE-BNFZFUHLSA-N
Compound name
(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

48
References

1571
Patents

223.19362 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.20090 159.5
[M+Na]+ 246.18284 167.2
[M+NH4]+ 241.22744 165.4
[M+K]+ 262.15678 160.5
[M-H]- 222.18634 158.4
[M+Na-2H]- 244.16829 160.6
[M]+ 223.19307 159.8
[M]- 223.19417 159.8
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