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]+ 237.12337 155.4
[M+Na]+ 259.10531 164.7
[M+NH4]+ 254.14991 158.0
[M+K]+ 275.07925 156.2
[M-H]- 235.10881 147.8
[M+Na-2H]- 257.09076 156.2
[M]+ 236.11554 153.4
[M]- 236.11664 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.