CID 3077964

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

Structural Information

Molecular Formula
C18H27NO2
SMILES
CCCCCCCOC1CCC(=O)N1CC2=CC=CC=C2
InChI
InChI=1S/C18H27NO2/c1-2-3-4-5-9-14-21-18-13-12-17(20)19(18)15-16-10-7-6-8-11-16/h6-8,10-11,18H,2-5,9,12-15H2,1H3
InChIKey
KVJKYVNTZDTLAH-UHFFFAOYSA-N
Compound name
1-benzyl-5-heptoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

289.2042 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 173.2
[M+Na]+ 312.19342 184.1
[M+NH4]+ 307.23802 180.5
[M+K]+ 328.16736 177.7
[M-H]- 288.19692 175.8
[M+Na-2H]- 310.17887 178.2
[M]+ 289.20365 175.3
[M]- 289.20475 175.3
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