CID 82418365

2-amino-1-(1-methyl-1h-imidazol-5-yl)ethan-1-one dihydrochloride

Structural Information

Molecular Formula
C6H9N3O
SMILES
CN1C=NC=C1C(=O)CN
InChI
InChI=1S/C6H9N3O/c1-9-4-8-3-5(9)6(10)2-7/h3-4H,2,7H2,1H3
InChIKey
YHBHGLUYEVOXDG-UHFFFAOYSA-N
Compound name
2-amino-1-(3-methylimidazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

139.07455 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 127.4
[M+Na]+ 162.063768 136.1
[M-H]- 138.067274 128.4
[M+NH4]+ 157.108373 147.8
[M+K]+ 178.037708 135.0
[M+H-H2O]+ 122.071810 120.5
[M+HCOO]- 184.072751 151.0
[M+CH3COO]- 198.088401 174.9
[M+Na-2H]- 160.049216 132.2
[M]+ 139.07400142 126.7
[M]- 139.07509858 126.7
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