CID 54357236

3-(2-hydroxyethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C6H11NO2
SMILES
C1CNC(=O)C1CCO
InChI
InChI=1S/C6H11NO2/c8-4-2-5-1-3-7-6(5)9/h5,8H,1-4H2,(H,7,9)
InChIKey
UJYRIMZFBRGKQF-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

129.07898 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 127.0
[M+Na]+ 152.06820 133.8
[M-H]- 128.07170 126.2
[M+NH4]+ 147.11280 148.1
[M+K]+ 168.04214 131.8
[M+H-H2O]+ 112.07624 121.7
[M+HCOO]- 174.07718 146.6
[M+CH3COO]- 188.09283 164.7
[M+Na-2H]- 150.05365 130.7
[M]+ 129.07843 122.9
[M]- 129.07953 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

literature stripe

Patent stripe

patents stripe