CID 83699

1-benzyl-2-methylimidazole

Structural Information

Molecular Formula
C11H12N2
SMILES
CC1=NC=CN1CC2=CC=CC=C2
InChI
InChI=1S/C11H12N2/c1-10-12-7-8-13(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKey
FBHPRUXJQNWTEW-UHFFFAOYSA-N
Compound name
1-benzyl-2-methylimidazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

20965
Patents

172.10005 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 136.0
[M+Na]+ 195.08927 144.9
[M-H]- 171.09277 140.2
[M+NH4]+ 190.13387 155.4
[M+K]+ 211.06321 141.7
[M+H-H2O]+ 155.09731 127.9
[M+HCOO]- 217.09825 159.6
[M+CH3COO]- 231.11390 149.7
[M+Na-2H]- 193.07472 142.4
[M]+ 172.09950 136.2
[M]- 172.10060 136.2
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