CID 11128444

125097-83-8

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CCC=C(C1)C(=O)OC
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-7-5-6-9(8-13)10(14)16-4/h6H,5,7-8H2,1-4H3
InChIKey
OSEDCXAVONLPOJ-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 5-O-methyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

241.13141 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 154.5
[M+Na]+ 264.12063 160.2
[M-H]- 240.12413 156.4
[M+NH4]+ 259.16523 171.0
[M+K]+ 280.09457 160.4
[M+H-H2O]+ 224.12867 148.3
[M+HCOO]- 286.12961 171.8
[M+CH3COO]- 300.14526 190.7
[M+Na-2H]- 262.10608 157.3
[M]+ 241.13086 156.1
[M]- 241.13196 156.1
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