CID 59420

102504-43-8

Structural Information

Molecular Formula
C11H16N2O4
SMILES
CCCCCCC1=NC=CN1OC(=O)C(=O)O
InChI
InChI=1S/C11H16N2O4/c1-2-3-4-5-6-9-12-7-8-13(9)17-11(16)10(14)15/h7-8H,2-6H2,1H3,(H,14,15)
InChIKey
HSQFLMVUGHMYTG-UHFFFAOYSA-N
Compound name
2-(2-hexylimidazol-1-yl)oxy-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.11101 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.118286 154.3
[M+Na]+ 263.100228 161.1
[M-H]- 239.103734 153.8
[M+NH4]+ 258.144833 170.3
[M+K]+ 279.074168 159.8
[M+H-H2O]+ 223.108270 146.9
[M+HCOO]- 285.109211 174.1
[M+CH3COO]- 299.124861 188.0
[M+Na-2H]- 261.085676 155.6
[M]+ 240.11046142 158.1
[M]- 240.11155858 158.1
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.