CID 10241919

Schembl7092725

Structural Information

Molecular Formula
C9H15NO4
SMILES
CCC(CC(=O)N[C@H]1CCOC1=O)O
InChI
InChI=1S/C9H15NO4/c1-2-6(11)5-8(12)10-7-3-4-14-9(7)13/h6-7,11H,2-5H2,1H3,(H,10,12)/t6?,7-/m0/s1
InChIKey
IZXCXPQWOXJOPE-MLWJPKLSSA-N
Compound name
3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

201.10011 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.107386 145.3
[M+Na]+ 224.089328 150.0
[M-H]- 200.092834 147.6
[M+NH4]+ 219.133933 163.5
[M+K]+ 240.063268 150.3
[M+H-H2O]+ 184.097370 139.7
[M+HCOO]- 246.098311 165.3
[M+CH3COO]- 260.113961 183.2
[M+Na-2H]- 222.074776 146.9
[M]+ 201.09956142 144.2
[M]- 201.10065858 144.2
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