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
3
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]+ 252.15943 159.7
[M+Na]+ 274.14137 168.9
[M+NH4]+ 269.18597 166.6
[M+K]+ 290.11531 164.0
[M-H]- 250.14487 163.8
[M+Na-2H]- 272.12682 162.8
[M]+ 251.15160 161.8
[M]- 251.15270 161.8
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.