CID 154699528

Ns00117291

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CCC1(C(COC1=O)CC2=CN=CN2C)O
InChI
InChI=1S/C11H16N2O3/c1-3-11(15)8(6-16-10(11)14)4-9-5-12-7-13(9)2/h5,7-8,15H,3-4,6H2,1-2H3
InChIKey
CDYVNDYSMAKHRR-UHFFFAOYSA-N
Compound name
3-ethyl-3-hydroxy-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12337 147.3
[M+Na]+ 247.10531 156.3
[M-H]- 223.10881 151.3
[M+NH4]+ 242.14991 166.7
[M+K]+ 263.07925 155.1
[M+H-H2O]+ 207.11335 141.4
[M+HCOO]- 269.11429 167.1
[M+CH3COO]- 283.12994 185.1
[M+Na-2H]- 245.09076 149.5
[M]+ 224.11554 148.9
[M]- 224.11664 148.9
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

No patent data available for this compound.