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]+ 260.200876 167.0
[M+Na]+ 282.182818 171.0
[M-H]- 258.186324 166.3
[M+NH4]+ 277.227423 181.7
[M+K]+ 298.156758 165.8
[M+H-H2O]+ 242.190860 159.2
[M+HCOO]- 304.191801 185.7
[M+CH3COO]- 318.207451 195.2
[M+Na-2H]- 280.168266 169.2
[M]+ 259.19305142 167.6
[M]- 259.19414858 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.