CID 42608372

Micropine

Structural Information

Molecular Formula
C16H27NO2
SMILES
CCCC/C=C/C=C/C=C/[C@@H]1CC[C@H]([C@H](N1)CO)O
InChI
InChI=1S/C16H27NO2/c1-2-3-4-5-6-7-8-9-10-14-11-12-16(19)15(13-18)17-14/h5-10,14-19H,2-4,11-13H2,1H3/b6-5+,8-7+,10-9+/t14-,15-,16-/m1/s1
InChIKey
YVWVILBCUPRAIC-LKFDHHINSA-N
Compound name
(2R,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-2-(hydroxymethyl)piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

265.2042 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.21148 169.5
[M+Na]+ 288.19342 172.5
[M-H]- 264.19692 165.8
[M+NH4]+ 283.23802 182.9
[M+K]+ 304.16736 165.9
[M+H-H2O]+ 248.20146 162.8
[M+HCOO]- 310.20240 182.5
[M+CH3COO]- 324.21805 190.5
[M+Na-2H]- 286.17887 168.1
[M]+ 265.20365 163.8
[M]- 265.20475 163.8
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