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]+ 270.24275 170.8
[M+Na]+ 292.22469 174.2
[M-H]- 268.22819 171.0
[M+NH4]+ 287.26929 187.7
[M+K]+ 308.19863 171.5
[M+H-H2O]+ 252.23273 163.1
[M+HCOO]- 314.23367 190.1
[M+CH3COO]- 328.24932 200.2
[M+Na-2H]- 290.21014 170.2
[M]+ 269.23492 174.1
[M]- 269.23602 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.