CID 6444364

Alkaloid na 337

Structural Information

Molecular Formula
C10H15N
SMILES
C/C=C/C=C/C1=NCCCC1
InChI
InChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h2-4,7H,5-6,8-9H2,1H3/b3-2+,7-4+
InChIKey
CGPIOORMJIXSIM-AOGGBPEJSA-N
Compound name
6-[(1E,3E)-penta-1,3-dienyl]-2,3,4,5-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

149.12045 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.12773 134.3
[M+Na]+ 172.10967 140.0
[M-H]- 148.11317 135.6
[M+NH4]+ 167.15427 154.2
[M+K]+ 188.08361 137.2
[M+H-H2O]+ 132.11771 127.8
[M+HCOO]- 194.11865 154.8
[M+CH3COO]- 208.13430 174.7
[M+Na-2H]- 170.09512 140.1
[M]+ 149.11990 130.7
[M]- 149.12100 130.7
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