CID 12575258

Pipercitine

Structural Information

Molecular Formula
C23H43NO
SMILES
CCCCCCCCCCCCCCC/C=C/C(=O)N1CCCCC1
InChI
InChI=1S/C23H43NO/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/h17,20H,2-16,18-19,21-22H2,1H3/b20-17+
InChIKey
PPSREOHNKFETQU-LVZFUZTISA-N
Compound name
(E)-1-piperidin-1-yloctadec-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

349.33447 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.34175 197.9
[M+Na]+ 372.32369 196.6
[M-H]- 348.32719 196.2
[M+NH4]+ 367.36829 209.3
[M+K]+ 388.29763 191.5
[M+H-H2O]+ 332.33173 188.6
[M+HCOO]- 394.33267 211.7
[M+CH3COO]- 408.34832 216.9
[M+Na-2H]- 370.30914 194.3
[M]+ 349.33392 198.3
[M]- 349.33502 198.3
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