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]+ 250.216536 167.4
[M+Na]+ 272.198478 170.5
[M-H]- 248.201984 167.5
[M+NH4]+ 267.243083 184.8
[M+K]+ 288.172418 166.6
[M+H-H2O]+ 232.206520 159.9
[M+HCOO]- 294.207461 185.9
[M+CH3COO]- 308.223111 194.2
[M+Na-2H]- 270.183926 166.1
[M]+ 249.20871142 166.6
[M]- 249.20980858 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

literature stripe

Patent stripe

patents stripe