CID 13058849

56536-44-8

Structural Information

Molecular Formula
C7H10N2O
SMILES
CC1=C(N=C(N1)C)C(=O)C
InChI
InChI=1S/C7H10N2O/c1-4-7(5(2)10)9-6(3)8-4/h1-3H3,(H,8,9)
InChIKey
HEUBFSYOZRPRTD-UHFFFAOYSA-N
Compound name
1-(2,5-dimethyl-1H-imidazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

138.07932 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 127.7
[M+Na]+ 161.06854 137.5
[M-H]- 137.07204 128.1
[M+NH4]+ 156.11314 148.4
[M+K]+ 177.04248 135.6
[M+H-H2O]+ 121.07658 121.7
[M+HCOO]- 183.07752 149.0
[M+CH3COO]- 197.09317 172.3
[M+Na-2H]- 159.05399 131.5
[M]+ 138.07877 127.6
[M]- 138.07987 127.6
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