CID 131000

Virginiamycin butanolide c

Structural Information

Molecular Formula
C11H20O4
SMILES
CCCCCC(C1C(COC1=O)CO)O
InChI
InChI=1S/C11H20O4/c1-2-3-4-5-9(13)10-8(6-12)7-15-11(10)14/h8-10,12-13H,2-7H2,1H3
InChIKey
ONFPUQOPHZOEKF-UHFFFAOYSA-N
Compound name
3-(1-hydroxyhexyl)-4-(hydroxymethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

10
Patents

216.13615 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.14343 151.0
[M+Na]+ 239.12537 156.2
[M-H]- 215.12887 151.9
[M+NH4]+ 234.16997 168.8
[M+K]+ 255.09931 155.3
[M+H-H2O]+ 199.13341 146.1
[M+HCOO]- 261.13435 168.7
[M+CH3COO]- 275.15000 183.5
[M+Na-2H]- 237.11082 151.5
[M]+ 216.13560 151.5
[M]- 216.13670 151.5
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