CID 21778133

Phormidinine a

Structural Information

Molecular Formula
C17H25NO
SMILES
C[C@H](CCC/C=C/C=C/CCCC1=CC=CC=N1)O
InChI
InChI=1S/C17H25NO/c1-16(19)12-8-6-4-2-3-5-7-9-13-17-14-10-11-15-18-17/h2-5,10-11,14-16,19H,6-9,12-13H2,1H3/b4-2+,5-3+/t16-/m1/s1
InChIKey
KUXJKPYGNYWXQB-AQPXMDQQSA-N
Compound name
(2R,6E,8E)-12-pyridin-2-yldodeca-6,8-dien-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1936 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.20088 167.0
[M+Na]+ 282.18282 171.0
[M-H]- 258.18632 166.3
[M+NH4]+ 277.22742 181.7
[M+K]+ 298.15676 165.8
[M+H-H2O]+ 242.19086 159.2
[M+HCOO]- 304.19180 185.7
[M+CH3COO]- 318.20745 195.2
[M+Na-2H]- 280.16827 169.2
[M]+ 259.19305 167.6
[M]- 259.19415 167.6
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

No patent data available for this compound.