CID 9588792

145071-29-0

Structural Information

Molecular Formula
C9H14N2O3
SMILES
COC(=O)N1CCC=C(C1)/C=N/OC
InChI
InChI=1S/C9H14N2O3/c1-13-9(12)11-5-3-4-8(7-11)6-10-14-2/h4,6H,3,5,7H2,1-2H3/b10-6+
InChIKey
DDKZZYDTARWAND-UXBLZVDNSA-N
Compound name
methyl 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.10045 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.107726 142.3
[M+Na]+ 221.089668 148.5
[M-H]- 197.093174 145.5
[M+NH4]+ 216.134273 160.7
[M+K]+ 237.063608 148.7
[M+H-H2O]+ 181.097710 135.0
[M+HCOO]- 243.098651 165.4
[M+CH3COO]- 257.114301 186.5
[M+Na-2H]- 219.075116 147.5
[M]+ 198.09990142 143.5
[M]- 198.10099858 143.5
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.