CID 10537570

1-methyl-3-pentylimidazolium bromide

Structural Information

Molecular Formula
C9H17N2
SMILES
CCCCCN1C=C[N+](=C1)C
InChI
InChI=1S/C9H17N2/c1-3-4-5-6-11-8-7-10(2)9-11/h7-9H,3-6H2,1-2H3/q+1
InChIKey
LSFWFJFDPRFPBK-UHFFFAOYSA-N
Compound name
1-methyl-3-pentylimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1139
Patents

153.13918 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.14646 134.9
[M+Na]+ 176.12840 143.3
[M-H]- 152.13190 136.0
[M+NH4]+ 171.17300 155.3
[M+K]+ 192.10234 136.3
[M+H-H2O]+ 136.13644 130.7
[M+HCOO]- 198.13738 157.3
[M+CH3COO]- 212.15303 171.7
[M+Na-2H]- 174.11385 142.4
[M]+ 153.13863 135.6
[M]- 153.13973 135.6
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