CID 139158

1,5-dimethylimidazole

Structural Information

Molecular Formula
C5H8N2
SMILES
CC1=CN=CN1C
InChI
InChI=1S/C5H8N2/c1-5-3-6-4-7(5)2/h3-4H,1-2H3
InChIKey
HQNBJNDMPLEUDS-UHFFFAOYSA-N
Compound name
1,5-dimethylimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2131
Patents

96.06875 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.076026 115.7
[M+Na]+ 119.057968 125.8
[M-H]- 95.061474 117.2
[M+NH4]+ 114.102573 138.6
[M+K]+ 135.031908 125.2
[M+H-H2O]+ 79.066010 109.5
[M+HCOO]- 141.066951 139.7
[M+CH3COO]- 155.082601 166.0
[M+Na-2H]- 117.043416 123.0
[M]+ 96.06820142 116.3
[M]- 96.06929858 116.3
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