CID 22726194

(3r)-1-ethyl-3-hydroxy-pyrrolidin-2-one

Structural Information

Molecular Formula
C6H11NO2
SMILES
CCN1CCC(C1=O)O
InChI
InChI=1S/C6H11NO2/c1-2-7-4-3-5(8)6(7)9/h5,8H,2-4H2,1H3
InChIKey
UIHCQCMYAKTVQK-UHFFFAOYSA-N
Compound name
1-ethyl-3-hydroxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

129.07898 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 125.5
[M+Na]+ 152.06820 133.7
[M-H]- 128.07170 126.5
[M+NH4]+ 147.11280 147.6
[M+K]+ 168.04214 132.6
[M+H-H2O]+ 112.07624 120.3
[M+HCOO]- 174.07718 146.6
[M+CH3COO]- 188.09283 168.5
[M+Na-2H]- 150.05365 129.1
[M]+ 129.07843 123.6
[M]- 129.07953 123.6
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