CID 87397957

150514-78-6

Structural Information

Molecular Formula
C13H19N2O4
SMILES
C[N+](C)(C)CC1=CC(=C(N=C1)C(=O)OC)C(=O)OC
InChI
InChI=1S/C13H19N2O4/c1-15(2,3)8-9-6-10(12(16)18-4)11(14-7-9)13(17)19-5/h6-7H,8H2,1-5H3/q+1
InChIKey
PBCNHDJNBSNZRO-UHFFFAOYSA-N
Compound name
[5,6-bis(methoxycarbonyl)pyridin-3-yl]methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

267.1345 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14178 157.7
[M+Na]+ 290.12372 170.1
[M+NH4]+ 285.16832 164.4
[M+K]+ 306.09766 167.0
[M-H]- 266.12722 159.3
[M+Na-2H]- 288.10917 163.3
[M]+ 267.13395 160.1
[M]- 267.13505 160.1
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