CID 3144501

1-(5-chloro-1-methyl-1h-imidazol-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C6H9ClN2O
SMILES
CC(C1=NC=C(N1C)Cl)O
InChI
InChI=1S/C6H9ClN2O/c1-4(10)6-8-3-5(7)9(6)2/h3-4,10H,1-2H3
InChIKey
OFMIUVSTOAUGPU-UHFFFAOYSA-N
Compound name
1-(5-chloro-1-methylimidazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

160.04034 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.047616 130.2
[M+Na]+ 183.029558 140.7
[M-H]- 159.033064 130.4
[M+NH4]+ 178.074163 150.8
[M+K]+ 199.003498 137.7
[M+H-H2O]+ 143.037600 124.7
[M+HCOO]- 205.038541 146.9
[M+CH3COO]- 219.054191 174.1
[M+Na-2H]- 181.015006 134.0
[M]+ 160.03979142 132.1
[M]- 160.04088858 132.1
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

patents stripe