CID 6454888

3,7-dimethyloct-6-enyl 5-oxo-dl-prolinate

Structural Information

Molecular Formula
C15H25NO3
SMILES
CC(CCC=C(C)C)CCOC(=O)C1CCC(=O)N1
InChI
InChI=1S/C15H25NO3/c1-11(2)5-4-6-12(3)9-10-19-15(18)13-7-8-14(17)16-13/h5,12-13H,4,6-10H2,1-3H3,(H,16,17)
InChIKey
IPCMWVOBEOLDAO-UHFFFAOYSA-N
Compound name
3,7-dimethyloct-6-enyl 5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.18344 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.19072 168.6
[M+Na]+ 290.17266 171.9
[M-H]- 266.17616 168.1
[M+NH4]+ 285.21726 184.6
[M+K]+ 306.14660 169.4
[M+H-H2O]+ 250.18070 161.9
[M+HCOO]- 312.18164 184.4
[M+CH3COO]- 326.19729 196.0
[M+Na-2H]- 288.15811 164.6
[M]+ 267.18289 167.6
[M]- 267.18399 167.6
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.