CID 62520

3,5-pyridinedicarboxylic acid, diisopropyl ester

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

251.11575 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12303 155.8
[M+Na]+ 274.10497 162.0
[M-H]- 250.10847 158.0
[M+NH4]+ 269.14957 171.5
[M+K]+ 290.07891 162.0
[M+H-H2O]+ 234.11301 148.7
[M+HCOO]- 296.11395 175.2
[M+CH3COO]- 310.12960 195.7
[M+Na-2H]- 272.09042 156.6
[M]+ 251.11520 159.9
[M]- 251.11630 159.9
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