CID 785586

1-(4-hydroxyphenyl)-2-pyrrolidinone

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CC(=O)N(C1)C2=CC=C(C=C2)O
InChI
InChI=1S/C10H11NO2/c12-9-5-3-8(4-6-9)11-7-1-2-10(11)13/h3-6,12H,1-2,7H2
InChIKey
KZDDUQHZILCAFQ-UHFFFAOYSA-N
Compound name
1-(4-hydroxyphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

177.07898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 136.2
[M+Na]+ 200.06820 144.1
[M-H]- 176.07170 140.4
[M+NH4]+ 195.11280 156.1
[M+K]+ 216.04214 141.2
[M+H-H2O]+ 160.07624 129.6
[M+HCOO]- 222.07718 157.7
[M+CH3COO]- 236.09283 176.1
[M+Na-2H]- 198.05365 140.0
[M]+ 177.07843 133.4
[M]- 177.07953 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