CID 101683572

3-hydroxy-n-[(3s)-2-oxooxolan-3-yl]heptanamide

Structural Information

Molecular Formula
C11H19NO4
SMILES
CCCCC(CC(=O)N[C@H]1CCOC1=O)O
InChI
InChI=1S/C11H19NO4/c1-2-3-4-8(13)7-10(14)12-9-5-6-16-11(9)15/h8-9,13H,2-7H2,1H3,(H,12,14)/t8?,9-/m0/s1
InChIKey
HKTRVVRDLKOZKT-GKAPJAKFSA-N
Compound name
3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]heptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.13141 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 154.6
[M+Na]+ 252.12063 158.4
[M-H]- 228.12413 156.5
[M+NH4]+ 247.16523 171.7
[M+K]+ 268.09457 158.2
[M+H-H2O]+ 212.12867 148.6
[M+HCOO]- 274.12961 174.0
[M+CH3COO]- 288.14526 189.2
[M+Na-2H]- 250.10608 155.2
[M]+ 229.13086 154.2
[M]- 229.13196 154.2
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

No patent data available for this compound.