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]+ 252.15943 159.4
[M+Na]+ 274.14137 162.6
[M-H]- 250.14487 164.3
[M+NH4]+ 269.18597 173.9
[M+K]+ 290.11531 160.8
[M+H-H2O]+ 234.14941 152.4
[M+HCOO]- 296.15035 175.1
[M+CH3COO]- 310.16600 195.4
[M+Na-2H]- 272.12682 160.0
[M]+ 251.15160 152.9
[M]- 251.15270 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.