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]+ 241.11829 154.3
[M+Na]+ 263.10023 161.1
[M-H]- 239.10373 153.8
[M+NH4]+ 258.14483 170.3
[M+K]+ 279.07417 159.8
[M+H-H2O]+ 223.10827 146.9
[M+HCOO]- 285.10921 174.1
[M+CH3COO]- 299.12486 188.0
[M+Na-2H]- 261.08568 155.6
[M]+ 240.11046 158.1
[M]- 240.11156 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.