CID 636555

Neopellitorine a

Structural Information

Molecular Formula
C15H19NO
SMILES
CC#CC#CC/C=C/C=C/C(=O)NCC(C)C
InChI
InChI=1S/C15H19NO/c1-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)3/h9-12,14H,8,13H2,1-3H3,(H,16,17)/b10-9+,12-11+
InChIKey
LFYBJVLJNNOYNG-HULFFUFUSA-N
Compound name
(2E,4E)-N-(2-methylpropyl)undeca-2,4-dien-7,9-diynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.14667 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.15395 176.0
[M+Na]+ 252.13589 182.4
[M+NH4]+ 247.18049 175.2
[M+K]+ 268.10983 172.0
[M-H]- 228.13939 163.3
[M+Na-2H]- 250.12134 171.9
[M]+ 229.14612 171.9
[M]- 229.14722 171.9
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

No patent data available for this compound.