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
2
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 165.9
[M+Na]+ 252.13589 173.5
[M-H]- 228.13939 166.2
[M+NH4]+ 247.18049 177.6
[M+K]+ 268.10983 169.2
[M+H-H2O]+ 212.14393 151.9
[M+HCOO]- 274.14487 174.2
[M+CH3COO]- 288.16052 216.0
[M+Na-2H]- 250.12134 164.2
[M]+ 229.14612 157.7
[M]- 229.14722 157.7
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.