CID 8693

136-45-8

Structural Information

Molecular Formula
C13H17NO4
SMILES
CCCOC(=O)C1=CN=C(C=C1)C(=O)OCCC
InChI
InChI=1S/C13H17NO4/c1-3-7-17-12(15)10-5-6-11(14-9-10)13(16)18-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey
IITCWRFYJWUUPC-UHFFFAOYSA-N
Compound name
dipropyl pyridine-2,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

1393
Patents

251.11575 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12303 156.6
[M+Na]+ 274.10497 163.2
[M-H]- 250.10847 158.6
[M+NH4]+ 269.14957 172.4
[M+K]+ 290.07891 162.2
[M+H-H2O]+ 234.11301 149.1
[M+HCOO]- 296.11395 177.9
[M+CH3COO]- 310.12960 193.9
[M+Na-2H]- 272.09042 159.7
[M]+ 251.11520 161.8
[M]- 251.11630 161.8
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

No patent data available for this compound.