CID 69976

2,4,5-trimethyl-1h-imidazole hydrochloride

Structural Information

Molecular Formula
C6H10N2
SMILES
CC1=C(N=C(N1)C)C
InChI
InChI=1S/C6H10N2/c1-4-5(2)8-6(3)7-4/h1-3H3,(H,7,8)
InChIKey
PTBPTNCGZUOCBK-UHFFFAOYSA-N
Compound name
2,4,5-trimethyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1264
Patents

110.0844 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.09168 120.9
[M+Na]+ 133.07362 131.2
[M-H]- 109.07712 121.3
[M+NH4]+ 128.11822 143.0
[M+K]+ 149.04756 129.3
[M+H-H2O]+ 93.081660 115.1
[M+HCOO]- 155.08260 143.1
[M+CH3COO]- 169.09825 167.4
[M+Na-2H]- 131.05907 126.5
[M]+ 110.08385 120.4
[M]- 110.08495 120.4
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