CID 15617

1,2-dimethylimidazole

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

26
References

40468
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]+ 119.05797 125.8
[M-H]- 95.061474 117.2
[M+NH4]+ 114.10257 138.6
[M+K]+ 135.03191 125.2
[M+H-H2O]+ 79.066010 109.5
[M+HCOO]- 141.06695 139.7
[M+CH3COO]- 155.08260 166.0
[M+Na-2H]- 117.04342 123.0
[M]+ 96.068201 116.3
[M]- 96.069299 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