CID 131751247

2,4,12-octadecatrienoic acid piperidide

Structural Information

Molecular Formula
C23H39NO
SMILES
CCCCC/C=C/CCCCCC/C=C\C=C\C(=O)N1CCCCC1
InChI
InChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(25)24-21-18-16-19-22-24/h6-7,14-15,17,20H,2-5,8-13,16,18-19,21-22H2,1H3/b7-6+,15-14-,20-17+
InChIKey
HFWMTBWJCPVZTO-ZQACVTJVSA-N
Compound name
(2E,4Z,12E)-1-piperidin-1-yloctadeca-2,4,12-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

345.30316 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.31044 195.3
[M+Na]+ 368.29238 194.8
[M-H]- 344.29588 193.8
[M+NH4]+ 363.33698 206.9
[M+K]+ 384.26632 188.5
[M+H-H2O]+ 328.30042 186.3
[M+HCOO]- 390.30136 209.5
[M+CH3COO]- 404.31701 214.0
[M+Na-2H]- 366.27783 191.8
[M]+ 345.30261 194.2
[M]- 345.30371 194.2
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

patents stripe