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

1510
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

literature stripe

Patent stripe

patents stripe