CID 11182587

4-(propan-2-yl)-1h-imidazole

Structural Information

Molecular Formula
C6H10N2
SMILES
CC(C)C1=CN=CN1
InChI
InChI=1S/C6H10N2/c1-5(2)6-3-7-4-8-6/h3-5H,1-2H3,(H,7,8)
InChIKey
HINMGNHBDCADKG-UHFFFAOYSA-N
Compound name
5-propan-2-yl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1889
Patents

110.0844 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.09168 122.2
[M+Na]+ 133.07362 130.2
[M-H]- 109.07712 121.9
[M+NH4]+ 128.11822 143.5
[M+K]+ 149.04756 128.9
[M+H-H2O]+ 93.081660 115.8
[M+HCOO]- 155.08260 143.4
[M+CH3COO]- 169.09825 166.0
[M+Na-2H]- 131.05907 127.9
[M]+ 110.08385 120.2
[M]- 110.08495 120.2
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