CID 9588754

1(2h)-pyridineacetic acid, 3,6-dihydro-5-((methoxyimino)methyl)-, 1,1-dimethylethyl ester, monohydrochloride, (e)-

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]+ 255.170316 160.5
[M+Na]+ 277.152258 165.5
[M-H]- 253.155764 163.3
[M+NH4]+ 272.196863 176.7
[M+K]+ 293.126198 165.1
[M+H-H2O]+ 237.160300 153.2
[M+HCOO]- 299.161241 180.6
[M+CH3COO]- 313.176891 198.9
[M+Na-2H]- 275.137706 164.5
[M]+ 254.16249142 162.6
[M]- 254.16358858 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