CID 9588778

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

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

5
Patents

198.10045 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.107726 142.5
[M+Na]+ 221.089668 148.1
[M-H]- 197.093174 144.2
[M+NH4]+ 216.134273 159.9
[M+K]+ 237.063608 147.3
[M+H-H2O]+ 181.097710 135.4
[M+HCOO]- 243.098651 163.9
[M+CH3COO]- 257.114301 185.2
[M+Na-2H]- 219.075116 147.2
[M]+ 198.09990142 141.8
[M]- 198.10099858 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.