CID 135511134

Schembl13754856

Structural Information

Molecular Formula
C15H19NO4
SMILES
C1CCC(CC1)COC2=CN=C(C=C2)/C=C(/C(=O)O)\O
InChI
InChI=1S/C15H19NO4/c17-14(15(18)19)8-12-6-7-13(9-16-12)20-10-11-4-2-1-3-5-11/h6-9,11,17H,1-5,10H2,(H,18,19)/b14-8-
InChIKey
XNBYWLSVDIAIKT-ZSOIEALJSA-N
Compound name
(Z)-3-[5-(cyclohexylmethoxy)pyridin-2-yl]-2-hydroxyprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

277.1314 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 164.2
[M+Na]+ 300.12062 167.1
[M-H]- 276.12412 165.5
[M+NH4]+ 295.16522 176.6
[M+K]+ 316.09456 163.8
[M+H-H2O]+ 260.12866 156.1
[M+HCOO]- 322.12960 178.8
[M+CH3COO]- 336.14525 192.6
[M+Na-2H]- 298.10607 164.9
[M]+ 277.13085 159.5
[M]- 277.13195 159.5
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