CID 18654324

Nonyl 5-oxo-l-prolinate

Structural Information

Molecular Formula
C14H25NO3
SMILES
CCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1
InChI
InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-11-18-14(17)12-9-10-13(16)15-12/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1
InChIKey
ZLOYQBAMRXWHFZ-LBPRGKRZSA-N
Compound name
nonyl (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

255.18344 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.190716 164.7
[M+Na]+ 278.172658 168.4
[M-H]- 254.176164 164.0
[M+NH4]+ 273.217263 181.2
[M+K]+ 294.146598 165.8
[M+H-H2O]+ 238.180700 157.6
[M+HCOO]- 300.181641 182.5
[M+CH3COO]- 314.197291 192.8
[M+Na-2H]- 276.158106 163.5
[M]+ 255.18289142 165.4
[M]- 255.18398858 165.4
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