CID 10999431

(2e,4e)-1-(pyrrolidin-1-yl)dodeca-2,4-dien-1-one

Structural Information

Molecular Formula
C16H27NO
SMILES
CCCCCCC/C=C/C=C/C(=O)N1CCCC1
InChI
InChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-9-10-13-16(18)17-14-11-12-15-17/h8-10,13H,2-7,11-12,14-15H2,1H3/b9-8+,13-10+
InChIKey
UAIYHWLHQSKQLW-PEGOPYGQSA-N
Compound name
(2E,4E)-1-pyrrolidin-1-yldodeca-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

249.20926 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.21654 167.4
[M+Na]+ 272.19848 170.5
[M-H]- 248.20198 167.5
[M+NH4]+ 267.24308 184.8
[M+K]+ 288.17242 166.6
[M+H-H2O]+ 232.20652 159.9
[M+HCOO]- 294.20746 185.9
[M+CH3COO]- 308.22311 194.2
[M+Na-2H]- 270.18393 166.1
[M]+ 249.20871 166.6
[M]- 249.20981 166.6
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.