CID 529334

1-pentyl-1h-imidazole

Structural Information

Molecular Formula
C8H14N2
SMILES
CCCCCN1C=CN=C1
InChI
InChI=1S/C8H14N2/c1-2-3-4-6-10-7-5-9-8-10/h5,7-8H,2-4,6H2,1H3
InChIKey
UPYVYJSWGZMBOU-UHFFFAOYSA-N
Compound name
1-pentylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6383
Patents

138.11569 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.12297 130.0
[M+Na]+ 161.10491 137.8
[M-H]- 137.10841 130.6
[M+NH4]+ 156.14951 150.9
[M+K]+ 177.07885 136.5
[M+H-H2O]+ 121.11295 122.8
[M+HCOO]- 183.11389 153.0
[M+CH3COO]- 197.12954 174.0
[M+Na-2H]- 159.09036 136.3
[M]+ 138.11514 131.3
[M]- 138.11624 131.3
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