CID 3087332

2-pyrrolidinone, 1-(2-(decyloxy)ethyl)-

Structural Information

Molecular Formula
C16H31NO2
SMILES
CCCCCCCCCCOCCN1CCCC1=O
InChI
InChI=1S/C16H31NO2/c1-2-3-4-5-6-7-8-9-14-19-15-13-17-12-10-11-16(17)18/h2-15H2,1H3
InChIKey
RHLYUADRNFFRNG-UHFFFAOYSA-N
Compound name
1-(2-decoxyethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.23547 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.242746 170.8
[M+Na]+ 292.224688 174.2
[M-H]- 268.228194 171.0
[M+NH4]+ 287.269293 187.7
[M+K]+ 308.198628 171.5
[M+H-H2O]+ 252.232730 163.1
[M+HCOO]- 314.233671 190.1
[M+CH3COO]- 328.249321 200.2
[M+Na-2H]- 290.210136 170.2
[M]+ 269.23492142 174.1
[M]- 269.23601858 174.1
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

No patent data available for this compound.