CID 136918482

Dtxsid601029354

Structural Information

Molecular Formula
C14H21NO3
SMILES
CCC(=N)C1=C(CC(CC1=O)C2CCOCC2)O
InChI
InChI=1S/C14H21NO3/c1-2-11(15)14-12(16)7-10(8-13(14)17)9-3-5-18-6-4-9/h9-10,15-16H,2-8H2,1H3
InChIKey
YWEQWNGUMIAAGS-UHFFFAOYSA-N
Compound name
3-hydroxy-5-(oxan-4-yl)-2-propanimidoylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

251.15215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.159426 159.4
[M+Na]+ 274.141368 162.6
[M-H]- 250.144874 164.3
[M+NH4]+ 269.185973 173.9
[M+K]+ 290.115308 160.8
[M+H-H2O]+ 234.149410 152.4
[M+HCOO]- 296.150351 175.1
[M+CH3COO]- 310.166001 195.4
[M+Na-2H]- 272.126816 160.0
[M]+ 251.15160142 152.9
[M]- 251.15269858 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.