CID 10560336

1-benzyl-3-methylimidazolium chloride

Structural Information

Molecular Formula
C11H13N2
SMILES
C[N+]1=CN(C=C1)CC2=CC=CC=C2
InChI
InChI=1S/C11H13N2/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3/q+1
InChIKey
COSSPXYCRNRXRX-UHFFFAOYSA-N
Compound name
1-benzyl-3-methylimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

1772
Patents

173.10788 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11516 137.9
[M+Na]+ 196.09710 146.7
[M-H]- 172.10060 142.5
[M+NH4]+ 191.14170 157.1
[M+K]+ 212.07104 138.2
[M+H-H2O]+ 156.10514 132.7
[M+HCOO]- 218.10608 161.2
[M+CH3COO]- 232.12173 173.1
[M+Na-2H]- 194.08255 146.6
[M]+ 173.10733 136.9
[M]- 173.10843 136.9
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