CID 3077963

136410-32-7

Structural Information

Molecular Formula
C17H25NO2
SMILES
CCCCCCOC1CCC(=O)N1CC2=CC=CC=C2
InChI
InChI=1S/C17H25NO2/c1-2-3-4-8-13-20-17-12-11-16(19)18(17)14-15-9-6-5-7-10-15/h5-7,9-10,17H,2-4,8,11-14H2,1H3
InChIKey
HUPJVMGZLNGJJK-UHFFFAOYSA-N
Compound name
1-benzyl-5-hexoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

275.18854 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 167.7
[M+Na]+ 298.177758 172.9
[M-H]- 274.181264 172.0
[M+NH4]+ 293.222363 184.3
[M+K]+ 314.151698 169.2
[M+H-H2O]+ 258.185800 159.4
[M+HCOO]- 320.186741 188.3
[M+CH3COO]- 334.202391 199.7
[M+Na-2H]- 296.163206 168.2
[M]+ 275.18799142 169.2
[M]- 275.18908858 169.2
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