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

1554
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.