CID 19428632

2-amino-4-chloro-1-methyl-1h-imidazole-5-carbaldehyde

Structural Information

Molecular Formula

C₅H₆ClN₃O

SMILES

CN1C(=C(N=C1N)Cl)C=O

InChI

InChI=1S/C5H6ClN3O/c1-9-3(2-10)4(6)8-5(9)7/h2H,1H3,(H2,7,8)

InChIKey

XGIXFEXYUXMYAL-UHFFFAOYSA-N

Compound name

2-amino-5-chloro-3-methylimidazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 159.01994 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	160.027216	129.0
[M+Na]+	182.009158	140.9
[M-H]-	158.012664	130.4
[M+NH4]+	177.053763	149.9
[M+K]+	197.983098	137.5
[M+H-H2O]+	142.017200	123.2
[M+HCOO]-	204.018141	149.0
[M+CH3COO]-	218.033791	177.3
[M+Na-2H]-	179.994606	133.4
[M]+	159.01939142	130.9
[M]-	159.02048858	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe