CID 18464561

4-(2-hydroxyethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C6H11NO2
SMILES
C1C(CNC1=O)CCO
InChI
InChI=1S/C6H11NO2/c8-2-1-5-3-6(9)7-4-5/h5,8H,1-4H2,(H,7,9)
InChIKey
USLIRRDZCYCNQT-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

129.07898 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 127.0
[M+Na]+ 152.068198 133.8
[M-H]- 128.071704 126.2
[M+NH4]+ 147.112803 148.1
[M+K]+ 168.042138 131.8
[M+H-H2O]+ 112.076240 121.7
[M+HCOO]- 174.077181 146.6
[M+CH3COO]- 188.092831 164.7
[M+Na-2H]- 150.053646 130.7
[M]+ 129.07843142 122.9
[M]- 129.07952858 122.9
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