CID 9588795

145071-32-5

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CCCOC(=O)N1CCC=C(C1)/C=N/OC
InChI
InChI=1S/C11H18N2O3/c1-3-7-16-11(14)13-6-4-5-10(9-13)8-12-15-2/h5,8H,3-4,6-7,9H2,1-2H3/b12-8+
InChIKey
VBWJQIXGJVLLIU-XYOKQWHBSA-N
Compound name
propyl 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.13174 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.139016 151.5
[M+Na]+ 249.120958 156.9
[M-H]- 225.124464 154.3
[M+NH4]+ 244.165563 168.7
[M+K]+ 265.094898 156.5
[M+H-H2O]+ 209.129000 143.8
[M+HCOO]- 271.129941 173.9
[M+CH3COO]- 285.145591 192.5
[M+Na-2H]- 247.106406 155.6
[M]+ 226.13119142 153.4
[M]- 226.13228858 153.4
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.