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

27
Patents

138.07932 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.086596 127.7
[M+Na]+ 161.068538 137.5
[M-H]- 137.072044 128.1
[M+NH4]+ 156.113143 148.4
[M+K]+ 177.042478 135.6
[M+H-H2O]+ 121.076580 121.7
[M+HCOO]- 183.077521 149.0
[M+CH3COO]- 197.093171 172.3
[M+Na-2H]- 159.053986 131.5
[M]+ 138.07877142 127.6
[M]- 138.07986858 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