CID 152807

4-hydroxy-2-pyrrolidone

Structural Information

Molecular Formula
C4H7NO2
SMILES
C1C(CNC1=O)O
InChI
InChI=1S/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)
InChIKey
IOGISYQVOGVIEU-UHFFFAOYSA-N
Compound name
4-hydroxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1010
Patents

101.047676 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 118.5
[M+Na]+ 124.03689 127.7
[M+NH4]+ 119.08150 126.1
[M+K]+ 140.01083 125.4
[M-H]- 100.04040 117.6
[M+Na-2H]- 122.02234 121.8
[M]+ 101.04713 119.1
[M]- 101.04822 119.1
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