CID 22840764

Schembl10352976

Structural Information

Molecular Formula
C15H23NO3
SMILES
CC(=CCC/C(=C/COC(=O)[C@@H]1CCC(=O)N1)/C)C
InChI
InChI=1S/C15H23NO3/c1-11(2)5-4-6-12(3)9-10-19-15(18)13-7-8-14(17)16-13/h5,9,13H,4,6-8,10H2,1-3H3,(H,16,17)/b12-9+/t13-/m0/s1
InChIKey
FFPMVCGLQVJUJY-SRXBQZRASA-N
Compound name
[(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

265.1678 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.175076 167.4
[M+Na]+ 288.157018 171.1
[M-H]- 264.160524 167.0
[M+NH4]+ 283.201623 183.5
[M+K]+ 304.130958 168.0
[M+H-H2O]+ 248.165060 160.9
[M+HCOO]- 310.166001 183.4
[M+CH3COO]- 324.181651 194.6
[M+Na-2H]- 286.142466 163.4
[M]+ 265.16725142 165.7
[M]- 265.16834858 165.7
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

patents stripe