CID 299328

1-(4-nitrophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H10N2O3
SMILES
C1CC(=O)N(C1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H10N2O3/c13-10-2-1-7-11(10)8-3-5-9(6-4-8)12(14)15/h3-6H,1-2,7H2
InChIKey
YYYMDBUHBOEDTC-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

119
Patents

206.06914 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07642 142.7
[M+Na]+ 229.05836 149.4
[M-H]- 205.06186 148.3
[M+NH4]+ 224.10296 160.9
[M+K]+ 245.03230 143.2
[M+H-H2O]+ 189.06640 140.1
[M+HCOO]- 251.06734 166.5
[M+CH3COO]- 265.08299 177.9
[M+Na-2H]- 227.04381 148.4
[M]+ 206.06859 138.9
[M]- 206.06969 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe