CID 6426685

5-hydroxy-n-methylpyrrolidone

Structural Information

Molecular Formula
C5H9NO2
SMILES
CN1C(CCC1=O)O
InChI
InChI=1S/C5H9NO2/c1-6-4(7)2-3-5(6)8/h4,7H,2-3H2,1H3
InChIKey
RMBHYULORNYSOB-UHFFFAOYSA-N
Compound name
5-hydroxy-1-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

106
Patents

115.06333 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 120.9
[M+Na]+ 138.052548 129.5
[M-H]- 114.056054 122.1
[M+NH4]+ 133.097153 143.6
[M+K]+ 154.026488 128.7
[M+H-H2O]+ 98.060590 115.9
[M+HCOO]- 160.061531 142.3
[M+CH3COO]- 174.077181 165.4
[M+Na-2H]- 136.037996 125.0
[M]+ 115.06278142 118.6
[M]- 115.06387858 118.6
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