CID 3044068

Brn 1007259

Structural Information

Molecular Formula
C17H23NO3
SMILES
C=CCC1(C(=O)N(C(=C)OC1=O)C2CCCCC2)CC=C
InChI
InChI=1S/C17H23NO3/c1-4-11-17(12-5-2)15(19)18(13(3)21-16(17)20)14-9-7-6-8-10-14/h4-5,14H,1-3,6-12H2
InChIKey
NHLJOAXLEPONNK-UHFFFAOYSA-N
Compound name
3-cyclohexyl-2-methylidene-5,5-bis(prop-2-enyl)-1,3-oxazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1678 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.17508 167.5
[M+Na]+ 312.15702 172.8
[M-H]- 288.16052 172.2
[M+NH4]+ 307.20162 182.3
[M+K]+ 328.13096 169.3
[M+H-H2O]+ 272.16506 160.3
[M+HCOO]- 334.16600 181.5
[M+CH3COO]- 348.18165 202.5
[M+Na-2H]- 310.14247 167.6
[M]+ 289.16725 163.0
[M]- 289.16835 163.0
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.