CID 9588814

3-pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-(acetyloxy)-, 3-(o-methyloxime), (e)-

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CC(=O)N1CCC=C(C1)/C=N/OC
InChI
InChI=1S/C9H14N2O2/c1-8(12)11-5-3-4-9(7-11)6-10-13-2/h4,6H,3,5,7H2,1-2H3/b10-6+
InChIKey
KBJGSNOAFQOHHC-UXBLZVDNSA-N
Compound name
1-[5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.10553 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.112806 139.3
[M+Na]+ 205.094748 145.6
[M-H]- 181.098254 142.6
[M+NH4]+ 200.139353 158.4
[M+K]+ 221.068688 145.2
[M+H-H2O]+ 165.102790 132.3
[M+HCOO]- 227.103731 162.1
[M+CH3COO]- 241.119381 185.1
[M+Na-2H]- 203.080196 144.5
[M]+ 182.10498142 139.1
[M]- 182.10607858 139.1
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.