CID 3077963

(+-)-5-(hexyloxy)-1-(phenylmethyl)-2-pyrrolidinone

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]+ 276.19582 167.7
[M+Na]+ 298.17776 172.9
[M-H]- 274.18126 172.0
[M+NH4]+ 293.22236 184.3
[M+K]+ 314.15170 169.2
[M+H-H2O]+ 258.18580 159.4
[M+HCOO]- 320.18674 188.3
[M+CH3COO]- 334.20239 199.7
[M+Na-2H]- 296.16321 168.2
[M]+ 275.18799 169.2
[M]- 275.18909 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