CID 171119155

9,10-dehydropellitorine

Structural Information

Molecular Formula
C14H23NO
SMILES
CC(C)CNC(=O)/C=C/C=C/CCCC=C
InChI
InChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4,8-11,13H,1,5-7,12H2,2-3H3,(H,15,16)/b9-8+,11-10+
InChIKey
OBMHOOZXZMQKRR-BNFZFUHLSA-N
Compound name
(2E,4E)-N-(2-methylpropyl)deca-2,4,9-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.17796 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.18524 158.2
[M+Na]+ 244.16718 162.2
[M-H]- 220.17068 157.3
[M+NH4]+ 239.21178 176.3
[M+K]+ 260.14112 158.8
[M+H-H2O]+ 204.17522 152.3
[M+HCOO]- 266.17616 179.5
[M+CH3COO]- 280.19181 194.2
[M+Na-2H]- 242.15263 158.7
[M]+ 221.17741 158.8
[M]- 221.17851 158.8
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.