CID 118785

1-propyl-1h-imidazole

Structural Information

Molecular Formula
C6H10N2
SMILES
CCCN1C=CN=C1
InChI
InChI=1S/C6H10N2/c1-2-4-8-5-3-7-6-8/h3,5-6H,2,4H2,1H3
InChIKey
IYVYLVCVXXCYRI-UHFFFAOYSA-N
Compound name
1-propylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6668
Patents

110.0844 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.09168 120.8
[M+Na]+ 133.07362 129.4
[M-H]- 109.07712 121.7
[M+NH4]+ 128.11822 142.8
[M+K]+ 149.04756 128.7
[M+H-H2O]+ 93.081660 114.0
[M+HCOO]- 155.08260 144.5
[M+CH3COO]- 169.09825 168.0
[M+Na-2H]- 131.05907 128.2
[M]+ 110.08385 121.3
[M]- 110.08495 121.3
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