CID 88305

19896-25-4

Structural Information

Molecular Formula
C14H24N2O6
SMILES
C1C(N=C(O1)CCCCC2=NC(CO2)(CO)CO)(CO)CO
InChI
InChI=1S/C14H24N2O6/c17-5-13(6-18)9-21-11(15-13)3-1-2-4-12-16-14(7-19,8-20)10-22-12/h17-20H,1-10H2
InChIKey
AUVJDYHPEDZHFL-UHFFFAOYSA-N
Compound name
[2-[4-[4,4-bis(hydroxymethyl)-5H-1,3-oxazol-2-yl]butyl]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

316.16342 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.170696 168.3
[M+Na]+ 339.152638 173.8
[M-H]- 315.156144 168.2
[M+NH4]+ 334.197243 181.9
[M+K]+ 355.126578 173.0
[M+H-H2O]+ 299.160680 163.1
[M+HCOO]- 361.161621 182.0
[M+CH3COO]- 375.177271 193.2
[M+Na-2H]- 337.138086 171.3
[M]+ 316.16287142 171.3
[M]- 316.16396858 171.3
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