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]+ 199.10773 142.3
[M+Na]+ 221.08967 148.5
[M-H]- 197.09317 145.5
[M+NH4]+ 216.13427 160.7
[M+K]+ 237.06361 148.7
[M+H-H2O]+ 181.09771 135.0
[M+HCOO]- 243.09865 165.4
[M+CH3COO]- 257.11430 186.5
[M+Na-2H]- 219.07512 147.5
[M]+ 198.09990 143.5
[M]- 198.10100 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.