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

9
Patents

159.01994 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.02722 129.0
[M+Na]+ 182.00916 140.9
[M-H]- 158.01266 130.4
[M+NH4]+ 177.05376 149.9
[M+K]+ 197.98310 137.5
[M+H-H2O]+ 142.01720 123.2
[M+HCOO]- 204.01814 149.0
[M+CH3COO]- 218.03379 177.3
[M+Na-2H]- 179.99461 133.4
[M]+ 159.01939 130.9
[M]- 159.02049 130.9
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