CID 57415968

1253226-20-8

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC1=C(CN(CC1)C(=O)OC(C)(C)C)C(=O)OC
InChI
InChI=1S/C13H21NO4/c1-9-6-7-14(8-10(9)11(15)17-5)12(16)18-13(2,3)4/h6-8H2,1-5H3
InChIKey
NGGDQVQAVUBAQI-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 5-O-methyl 4-methyl-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

255.14706 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 158.8
[M+Na]+ 278.13628 167.9
[M+NH4]+ 273.18088 164.2
[M+K]+ 294.11022 164.8
[M-H]- 254.13978 157.4
[M+Na-2H]- 276.12173 161.1
[M]+ 255.14651 159.4
[M]- 255.14761 159.4
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