CID 12415615

1-(butan-2-yl)-1h-imidazole

Structural Information

Molecular Formula
C7H12N2
SMILES
CCC(C)N1C=CN=C1
InChI
InChI=1S/C7H12N2/c1-3-7(2)9-5-4-8-6-9/h4-7H,3H2,1-2H3
InChIKey
GYKNBGLKLKMMJO-UHFFFAOYSA-N
Compound name
1-butan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

830
Patents

124.10005 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.107326 126.0
[M+Na]+ 147.089268 133.9
[M-H]- 123.092774 126.8
[M+NH4]+ 142.133873 147.4
[M+K]+ 163.063208 133.3
[M+H-H2O]+ 107.097310 119.0
[M+HCOO]- 169.098251 148.3
[M+CH3COO]- 183.113901 171.8
[M+Na-2H]- 145.074716 131.6
[M]+ 124.09950142 126.2
[M]- 124.10059858 126.2
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