CID 70259

2,4-dimethylimidazole

Structural Information

Molecular Formula
C5H8N2
SMILES
CC1=CN=C(N1)C
InChI
InChI=1S/C5H8N2/c1-4-3-6-5(2)7-4/h3H,1-2H3,(H,6,7)
InChIKey
LLPKQRMDOFYSGZ-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

8554
Patents

96.06875 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.076026 117.3
[M+Na]+ 119.05797 129.4
[M+NH4]+ 114.10257 125.8
[M+K]+ 135.03191 125.5
[M-H]- 95.061474 117.7
[M+Na-2H]- 117.04342 123.5
[M]+ 96.068201 119.0
[M]- 96.069299 119.0
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