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 150.4
[M+Na]+ 259.10531 157.9
[M-H]- 235.10881 151.5
[M+NH4]+ 254.14991 165.0
[M+K]+ 275.07925 155.5
[M+H-H2O]+ 219.11335 136.7
[M+HCOO]- 281.11429 166.7
[M+CH3COO]- 295.12994 200.7
[M+Na-2H]- 257.09076 153.4
[M]+ 236.11554 146.3
[M]- 236.11664 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.