CID 2735662

2-butyl-4-chloro-5-(hydroxymethyl)imidazole

Structural Information

Molecular Formula
C8H13ClN2O
SMILES
CCCCC1=NC(=C(N1)CO)Cl
InChI
InChI=1S/C8H13ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h12H,2-5H2,1H3,(H,10,11)
InChIKey
DXSZKDOOHOBZMT-UHFFFAOYSA-N
Compound name
(2-butyl-4-chloro-1H-imidazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

285
Patents

188.07164 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07892 140.2
[M+Na]+ 211.06086 149.6
[M-H]- 187.06436 138.4
[M+NH4]+ 206.10546 159.0
[M+K]+ 227.03480 144.7
[M+H-H2O]+ 171.06890 134.3
[M+HCOO]- 233.06984 155.6
[M+CH3COO]- 247.08549 176.7
[M+Na-2H]- 209.04631 143.5
[M]+ 188.07109 141.5
[M]- 188.07219 141.5
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