CID 3050708

Brn 0426434

Structural Information

Molecular Formula
C17H25NO5
SMILES
CCCCOC1=CN=C(C=C1)C(=O)OC(C)OC(=O)C(C)(C)C
InChI
InChI=1S/C17H25NO5/c1-6-7-10-21-13-8-9-14(18-11-13)15(19)22-12(2)23-16(20)17(3,4)5/h8-9,11-12H,6-7,10H2,1-5H3
InChIKey
NKJAVSNPXUGVLF-UHFFFAOYSA-N
Compound name
1-(2,2-dimethylpropanoyloxy)ethyl 5-butoxypyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.17328 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.18056 175.9
[M+Na]+ 346.16250 184.7
[M+NH4]+ 341.20710 179.9
[M+K]+ 362.13644 181.6
[M-H]- 322.16600 173.9
[M+Na-2H]- 344.14795 178.4
[M]+ 323.17273 176.2
[M]- 323.17383 176.2
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.