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 158.1
[M+Na]+ 278.13628 164.3
[M-H]- 254.13978 160.2
[M+NH4]+ 273.18088 174.3
[M+K]+ 294.11022 164.3
[M+H-H2O]+ 238.14432 152.0
[M+HCOO]- 300.14526 175.1
[M+CH3COO]- 314.16091 194.9
[M+Na-2H]- 276.12173 159.7
[M]+ 255.14651 160.4
[M]- 255.14761 160.4
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