CID 61347

1-butylimidazole

Structural Information

Molecular Formula
C7H12N2
SMILES
CCCCN1C=CN=C1
InChI
InChI=1S/C7H12N2/c1-2-3-5-9-6-4-8-7-9/h4,6-7H,2-3,5H2,1H3
InChIKey
MCMFEZDRQOJKMN-UHFFFAOYSA-N
Compound name
1-butylimidazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

17
References

8720
Patents

124.10005 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.10733 125.4
[M+Na]+ 147.08927 133.7
[M-H]- 123.09277 126.1
[M+NH4]+ 142.13387 146.9
[M+K]+ 163.06321 132.6
[M+H-H2O]+ 107.09731 118.4
[M+HCOO]- 169.09825 148.8
[M+CH3COO]- 183.11390 171.0
[M+Na-2H]- 145.07472 132.3
[M]+ 124.09950 126.3
[M]- 124.10060 126.3
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