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]+ 227.13902 151.5
[M+Na]+ 249.12096 156.9
[M-H]- 225.12446 154.3
[M+NH4]+ 244.16556 168.7
[M+K]+ 265.09490 156.5
[M+H-H2O]+ 209.12900 143.8
[M+HCOO]- 271.12994 173.9
[M+CH3COO]- 285.14559 192.5
[M+Na-2H]- 247.10641 155.6
[M]+ 226.13119 153.4
[M]- 226.13229 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.