CID 176472493

2,6-dimethyl-9-pyridin-4-ylnon-6-ene-2,3-diol

Structural Information

Molecular Formula
C16H25NO2
SMILES
CC(=CCCC1=CC=NC=C1)CCC(C(C)(C)O)O
InChI
InChI=1S/C16H25NO2/c1-13(7-8-15(18)16(2,3)19)5-4-6-14-9-11-17-12-10-14/h5,9-12,15,18-19H,4,6-8H2,1-3H3
InChIKey
FWJYPGDLRMIXBB-UHFFFAOYSA-N
Compound name
2,6-dimethyl-9-pyridin-4-ylnon-6-ene-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 167.1
[M+Na]+ 286.177758 170.9
[M-H]- 262.181264 165.6
[M+NH4]+ 281.222363 181.0
[M+K]+ 302.151698 167.3
[M+H-H2O]+ 246.185800 160.4
[M+HCOO]- 308.186741 182.1
[M+CH3COO]- 322.202391 194.3
[M+Na-2H]- 284.163206 169.0
[M]+ 263.18799142 166.7
[M]- 263.18908858 166.7
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

No patent data available for this compound.