CID 46738292

5-(1h-imidazol-2-yl)-2-methylaniline

Structural Information

Molecular Formula
C10H11N3
SMILES
CC1=C(C=C(C=C1)C2=NC=CN2)N
InChI
InChI=1S/C10H11N3/c1-7-2-3-8(6-9(7)11)10-12-4-5-13-10/h2-6H,11H2,1H3,(H,12,13)
InChIKey
NYAINBAPCOOXTC-UHFFFAOYSA-N
Compound name
5-(1H-imidazol-2-yl)-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

173.09529 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10257 136.3
[M+Na]+ 196.08451 145.3
[M-H]- 172.08801 139.3
[M+NH4]+ 191.12911 154.7
[M+K]+ 212.05845 140.9
[M+H-H2O]+ 156.09255 128.7
[M+HCOO]- 218.09349 159.2
[M+CH3COO]- 232.10914 149.3
[M+Na-2H]- 194.06996 141.5
[M]+ 173.09474 133.1
[M]- 173.09584 133.1
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

patents stripe