CID 1390

1-methylimidazole

Structural Information

Molecular Formula
C4H6N2
SMILES
CN1C=CN=C1
InChI
InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3
InChIKey
MCTWTZJPVLRJOU-UHFFFAOYSA-N
Compound name
1-methylimidazole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

397
References

82949
Patents

82.0531 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 83.060376 112.7
[M+Na]+ 105.04232 125.1
[M+NH4]+ 100.08692 121.7
[M+K]+ 121.01626 120.9
[M-H]- 81.045824 113.5
[M+Na-2H]- 103.02777 119.9
[M]+ 82.052551 114.5
[M]- 82.053649 114.5
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