CID 9588754

1,1-dimethylethyl 3,6-dihydro-5-((methoxyimino)methyl)-1(2h)-pyridineacetate

Structural Information

Molecular Formula
C13H22N2O3
SMILES
CC(C)(C)OC(=O)CN1CCC=C(C1)/C=N/OC
InChI
InChI=1S/C13H22N2O3/c1-13(2,3)18-12(16)10-15-7-5-6-11(9-15)8-14-17-4/h6,8H,5,7,9-10H2,1-4H3/b14-8+
InChIKey
IEPCJOMVCSUKCU-RIYZIHGNSA-N
Compound name
tert-butyl 2-[5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

254.16304 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.17032 160.5
[M+Na]+ 277.15226 165.5
[M-H]- 253.15576 163.3
[M+NH4]+ 272.19686 176.7
[M+K]+ 293.12620 165.1
[M+H-H2O]+ 237.16030 153.2
[M+HCOO]- 299.16124 180.6
[M+CH3COO]- 313.17689 198.9
[M+Na-2H]- 275.13771 164.5
[M]+ 254.16249 162.6
[M]- 254.16359 162.6
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