CID 9990004

4-((2-methyl-1h-imidazol-1-yl)methyl)aniline

Structural Information

Molecular Formula
C11H13N3
SMILES
CC1=NC=CN1CC2=CC=C(C=C2)N
InChI
InChI=1S/C11H13N3/c1-9-13-6-7-14(9)8-10-2-4-11(12)5-3-10/h2-7H,8,12H2,1H3
InChIKey
KWSBIEFIWQOXTF-UHFFFAOYSA-N
Compound name
4-[(2-methylimidazol-1-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

187.11095 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 140.3
[M+Na]+ 210.10017 149.3
[M-H]- 186.10367 144.5
[M+NH4]+ 205.14477 158.9
[M+K]+ 226.07411 145.6
[M+H-H2O]+ 170.10821 132.2
[M+HCOO]- 232.10915 164.4
[M+CH3COO]- 246.12480 153.7
[M+Na-2H]- 208.08562 145.5
[M]+ 187.11040 139.3
[M]- 187.11150 139.3
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