CID 566330

N-(4-methyl-1h-imidazol-2-yl)-acetamide

Structural Information

Molecular Formula
C6H9N3O
SMILES
CC1=CN=C(N1)NC(=O)C
InChI
InChI=1S/C6H9N3O/c1-4-3-7-6(8-4)9-5(2)10/h3H,1-2H3,(H2,7,8,9,10)
InChIKey
AIEWKBISOOGENG-UHFFFAOYSA-N
Compound name
N-(5-methyl-1H-imidazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

139.07455 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 128.2
[M+Na]+ 162.063768 136.5
[M-H]- 138.067274 128.3
[M+NH4]+ 157.108373 148.1
[M+K]+ 178.037708 134.8
[M+H-H2O]+ 122.071810 121.4
[M+HCOO]- 184.072751 150.8
[M+CH3COO]- 198.088401 172.3
[M+Na-2H]- 160.049216 133.5
[M]+ 139.07400142 126.4
[M]- 139.07509858 126.4
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