CID 154814228

2551114-54-4

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC1(C=CCCN1C(=O)OC(C)(C)C)C(=O)OC
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(16)14-9-7-6-8-13(14,4)10(15)17-5/h6,8H,7,9H2,1-5H3
InChIKey
NRMGBBYQYKXXMQ-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 6-O-methyl 6-methyl-2,3-dihydropyridine-1,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 157.7
[M+Na]+ 278.13628 163.9
[M-H]- 254.13978 159.7
[M+NH4]+ 273.18088 175.6
[M+K]+ 294.11022 164.2
[M+H-H2O]+ 238.14432 152.4
[M+HCOO]- 300.14526 174.6
[M+CH3COO]- 314.16091 193.2
[M+Na-2H]- 276.12173 161.4
[M]+ 255.14651 160.0
[M]- 255.14761 160.0
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

No patent data available for this compound.