CID 9588762

3-pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-methyl-, o-ethyloxime, monohydrochloride, (e)-

Structural Information

Molecular Formula
C9H16N2O
SMILES
CCO/N=C/C1=CCCN(C1)C
InChI
InChI=1S/C9H16N2O/c1-3-12-10-7-9-5-4-6-11(2)8-9/h5,7H,3-4,6,8H2,1-2H3/b10-7+
InChIKey
ZQEWNRYJHGIVRL-JXMROGBWSA-N
Compound name
(E)-N-ethoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

168.12627 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.133546 137.2
[M+Na]+ 191.115488 143.4
[M-H]- 167.118994 140.2
[M+NH4]+ 186.160093 156.9
[M+K]+ 207.089428 142.6
[M+H-H2O]+ 151.123530 130.1
[M+HCOO]- 213.124471 160.5
[M+CH3COO]- 227.140121 183.8
[M+Na-2H]- 189.100936 143.5
[M]+ 168.12572142 136.9
[M]- 168.12681858 136.9
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

patents stripe