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]+ 256.154336 157.7
[M+Na]+ 278.136278 163.9
[M-H]- 254.139784 159.7
[M+NH4]+ 273.180883 175.6
[M+K]+ 294.110218 164.2
[M+H-H2O]+ 238.144320 152.4
[M+HCOO]- 300.145261 174.6
[M+CH3COO]- 314.160911 193.2
[M+Na-2H]- 276.121726 161.4
[M]+ 255.14651142 160.0
[M]- 255.14760858 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.