CID 736761

1-(3-hydroxyphenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CC(=O)N(C1)C2=CC(=CC=C2)O
InChI
InChI=1S/C10H11NO2/c12-9-4-1-3-8(7-9)11-6-2-5-10(11)13/h1,3-4,7,12H,2,5-6H2
InChIKey
YZVOLCQVEKXPHT-UHFFFAOYSA-N
Compound name
1-(3-hydroxyphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

29
Patents

177.07898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 136.2
[M+Na]+ 200.068198 144.1
[M-H]- 176.071704 140.4
[M+NH4]+ 195.112803 156.1
[M+K]+ 216.042138 141.2
[M+H-H2O]+ 160.076240 129.6
[M+HCOO]- 222.077181 157.7
[M+CH3COO]- 236.092831 176.1
[M+Na-2H]- 198.053646 140.0
[M]+ 177.07843142 133.4
[M]- 177.07952858 133.4
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