CID 9588794

145071-31-4

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CCOC(=O)N1CCC=C(C1)/C=N/OCC#C
InChI
InChI=1S/C12H16N2O3/c1-3-8-17-13-9-11-6-5-7-14(10-11)12(15)16-4-2/h1,6,9H,4-5,7-8,10H2,2H3/b13-9+
InChIKey
UXHJCZJBOJLVAV-UKTHLTGXSA-N
Compound name
ethyl 5-[(E)-prop-2-ynoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.11609 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 150.4
[M+Na]+ 259.105308 157.9
[M-H]- 235.108814 151.5
[M+NH4]+ 254.149913 165.0
[M+K]+ 275.079248 155.5
[M+H-H2O]+ 219.113350 136.7
[M+HCOO]- 281.114291 166.7
[M+CH3COO]- 295.129941 200.7
[M+Na-2H]- 257.090756 153.4
[M]+ 236.11554142 146.3
[M]- 236.11663858 146.3
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.