CID 3015660

1-hexylimidazole

Structural Information

Molecular Formula
C9H16N2
SMILES
CCCCCCN1C=CN=C1
InChI
InChI=1S/C9H16N2/c1-2-3-4-5-7-11-8-6-10-9-11/h6,8-9H,2-5,7H2,1H3
InChIKey
KGWVFQAPOGAVRF-UHFFFAOYSA-N
Compound name
1-hexylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

996
Patents

152.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.13863 134.6
[M+Na]+ 175.12057 142.0
[M-H]- 151.12407 135.0
[M+NH4]+ 170.16517 155.0
[M+K]+ 191.09451 140.4
[M+H-H2O]+ 135.12861 127.2
[M+HCOO]- 197.12955 157.3
[M+CH3COO]- 211.14520 177.0
[M+Na-2H]- 173.10602 140.4
[M]+ 152.13080 136.3
[M]- 152.13190 136.3
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