CID 3077968

Brn 4758758

Structural Information

Molecular Formula
C20H31NO3
SMILES
CCCCCCCCOC1CCC(=O)N1CC2=CC(=CC=C2)OC
InChI
InChI=1S/C20H31NO3/c1-3-4-5-6-7-8-14-24-20-13-12-19(22)21(20)16-17-10-9-11-18(15-17)23-2/h9-11,15,20H,3-8,12-14,16H2,1-2H3
InChIKey
YAKUHNLSQCVLMA-UHFFFAOYSA-N
Compound name
1-[(3-methoxyphenyl)methyl]-5-octoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

333.2304 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.23768 183.9
[M+Na]+ 356.21962 188.5
[M-H]- 332.22312 187.9
[M+NH4]+ 351.26422 198.2
[M+K]+ 372.19356 184.7
[M+H-H2O]+ 316.22766 175.1
[M+HCOO]- 378.22860 203.6
[M+CH3COO]- 392.24425 211.8
[M+Na-2H]- 354.20507 182.1
[M]+ 333.22985 188.2
[M]- 333.23095 188.2
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