CID 7064000

1-(2-aminophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1CC(=O)N(C1)C2=CC=CC=C2N
InChI
InChI=1S/C10H12N2O/c11-8-4-1-2-5-9(8)12-7-3-6-10(12)13/h1-2,4-5H,3,6-7,11H2
InChIKey
OFWIPSFSNBNOQC-UHFFFAOYSA-N
Compound name
1-(2-aminophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

176.09496 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 136.8
[M+Na]+ 199.08418 144.3
[M-H]- 175.08768 141.8
[M+NH4]+ 194.12878 156.8
[M+K]+ 215.05812 141.3
[M+H-H2O]+ 159.09222 129.7
[M+HCOO]- 221.09316 160.0
[M+CH3COO]- 235.10881 180.8
[M+Na-2H]- 197.06963 140.5
[M]+ 176.09441 132.7
[M]- 176.09551 132.7
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