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]+ 290.175076 167.5
[M+Na]+ 312.157018 172.8
[M-H]- 288.160524 172.2
[M+NH4]+ 307.201623 182.3
[M+K]+ 328.130958 169.3
[M+H-H2O]+ 272.165060 160.3
[M+HCOO]- 334.166001 181.5
[M+CH3COO]- 348.181651 202.5
[M+Na-2H]- 310.142466 167.6
[M]+ 289.16725142 163.0
[M]- 289.16834858 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.