CID 3050706

Brn 0487554

Structural Information

Molecular Formula
C16H23NO5
SMILES
CCCCOC1=CN=C(C=C1)C(=O)OCOC(=O)C(C)(C)C
InChI
InChI=1S/C16H23NO5/c1-5-6-9-20-12-7-8-13(17-10-12)14(18)21-11-22-15(19)16(2,3)4/h7-8,10H,5-6,9,11H2,1-4H3
InChIKey
RFHCOCPISBBYGH-UHFFFAOYSA-N
Compound name
2,2-dimethylpropanoyloxymethyl 5-butoxypyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.15762 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16490 172.3
[M+Na]+ 332.14684 181.7
[M+NH4]+ 327.19144 176.6
[M+K]+ 348.12078 177.9
[M-H]- 308.15034 170.5
[M+Na-2H]- 330.13229 175.4
[M]+ 309.15707 172.8
[M]- 309.15817 172.8
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