CID 10898693

(4r,5r)-4-hydroxy-5-methylpyrrolidin-2-one

Structural Information

Molecular Formula
C5H9NO2
SMILES
C[C@@H]1[C@@H](CC(=O)N1)O
InChI
InChI=1S/C5H9NO2/c1-3-4(7)2-5(8)6-3/h3-4,7H,2H2,1H3,(H,6,8)/t3-,4-/m1/s1
InChIKey
ZBCVDJNHLQMBTG-QWWZWVQMSA-N
Compound name
(4R,5R)-4-hydroxy-5-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

115.06333 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 122.0
[M+Na]+ 138.05255 130.1
[M-H]- 114.05605 121.8
[M+NH4]+ 133.09715 143.9
[M+K]+ 154.02649 128.4
[M+H-H2O]+ 98.060590 117.2
[M+HCOO]- 160.06153 141.9
[M+CH3COO]- 174.07718 162.8
[M+Na-2H]- 136.03800 125.5
[M]+ 115.06278 117.8
[M]- 115.06388 117.8
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