CID 3077946

136410-15-6

Structural Information

Molecular Formula
C16H20N2O5
SMILES
CCCCCOC1CCC(=O)N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H20N2O5/c1-2-3-4-11-23-15-10-9-14(19)17(15)16(20)12-5-7-13(8-6-12)18(21)22/h5-8,15H,2-4,9-11H2,1H3
InChIKey
YVHQPAQCAOTTNS-UHFFFAOYSA-N
Compound name
1-(4-nitrobenzoyl)-5-pentoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

320.1372 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.144476 175.4
[M+Na]+ 343.126418 179.9
[M-H]- 319.129924 180.3
[M+NH4]+ 338.171023 188.9
[M+K]+ 359.100358 173.4
[M+H-H2O]+ 303.134460 171.8
[M+HCOO]- 365.135401 196.6
[M+CH3COO]- 379.151051 200.5
[M+Na-2H]- 341.111866 176.7
[M]+ 320.13665142 175.3
[M]- 320.13774858 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