CID 9588778

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

Structural Information

Molecular Formula
C9H14N2O3
SMILES
CO/N=C/C1=CCCN(C1)CC(=O)O
InChI
InChI=1S/C9H14N2O3/c1-14-10-5-8-3-2-4-11(6-8)7-9(12)13/h3,5H,2,4,6-7H2,1H3,(H,12,13)/b10-5+
InChIKey
MYXYKEABCCIJEX-BJMVGYQFSA-N
Compound name
2-[5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

198.10045 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10773 142.5
[M+Na]+ 221.08967 148.1
[M-H]- 197.09317 144.2
[M+NH4]+ 216.13427 159.9
[M+K]+ 237.06361 147.3
[M+H-H2O]+ 181.09771 135.4
[M+HCOO]- 243.09865 163.9
[M+CH3COO]- 257.11430 185.2
[M+Na-2H]- 219.07512 147.2
[M]+ 198.09990 141.8
[M]- 198.10100 141.8
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.