CID 15609894

Schembl30200312

Structural Information

Molecular Formula
C16H21NO
SMILES
CCC(C)CNC(=O)/C=C/C=C\CCC#CC#C
InChI
InChI=1S/C16H21NO/c1-4-6-7-8-9-10-11-12-13-16(18)17-14-15(3)5-2/h1,10-13,15H,5,8-9,14H2,2-3H3,(H,17,18)/b11-10-,13-12+
InChIKey
TWRMPJKEQKPLJO-JPYSRSMKSA-N
Compound name
(2E,4Z)-N-(2-methylbutyl)undeca-2,4-dien-8,10-diynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

243.16231 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.16959 168.2
[M+Na]+ 266.15153 175.5
[M-H]- 242.15503 168.3
[M+NH4]+ 261.19613 179.5
[M+K]+ 282.12547 170.9
[M+H-H2O]+ 226.15957 154.0
[M+HCOO]- 288.16051 176.2
[M+CH3COO]- 302.17616 218.4
[M+Na-2H]- 264.13698 166.2
[M]+ 243.16176 160.3
[M]- 243.16286 160.3
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