CID 121552587

4-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1C(=O)NCC1(CO)C2=CC=CC=N2
InChI
InChI=1S/C10H12N2O2/c13-7-10(5-9(14)12-6-10)8-3-1-2-4-11-8/h1-4,13H,5-7H2,(H,12,14)
InChIKey
FIEGBTCHIWWLFK-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08987 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 141.3
[M+Na]+ 215.07909 148.8
[M-H]- 191.08259 142.7
[M+NH4]+ 210.12369 160.2
[M+K]+ 231.05303 145.1
[M+H-H2O]+ 175.08713 134.3
[M+HCOO]- 237.08807 160.0
[M+CH3COO]- 251.10372 174.7
[M+Na-2H]- 213.06454 146.4
[M]+ 192.08932 137.1
[M]- 192.09042 137.1
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

No patent data available for this compound.