CID 9588814

Brn 5811985

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]+ 183.11281 139.3
[M+Na]+ 205.09475 145.6
[M-H]- 181.09825 142.6
[M+NH4]+ 200.13935 158.4
[M+K]+ 221.06869 145.2
[M+H-H2O]+ 165.10279 132.3
[M+HCOO]- 227.10373 162.1
[M+CH3COO]- 241.11938 185.1
[M+Na-2H]- 203.08020 144.5
[M]+ 182.10498 139.1
[M]- 182.10608 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.