CID 16226802

(1-methyl-1h-imidazol-2-yl)(phenyl)methanamine

Structural Information

Molecular Formula
C11H13N3
SMILES
CN1C=CN=C1C(C2=CC=CC=C2)N
InChI
InChI=1S/C11H13N3/c1-14-8-7-13-11(14)10(12)9-5-3-2-4-6-9/h2-8,10H,12H2,1H3
InChIKey
NXDJOGFBTIDOQK-UHFFFAOYSA-N
Compound name
(1-methylimidazol-2-yl)-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

187.11095 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 140.7
[M+Na]+ 210.10017 148.4
[M-H]- 186.10367 144.6
[M+NH4]+ 205.14477 158.9
[M+K]+ 226.07411 145.2
[M+H-H2O]+ 170.10821 132.4
[M+HCOO]- 232.10915 163.7
[M+CH3COO]- 246.12480 153.5
[M+Na-2H]- 208.08562 145.4
[M]+ 187.11040 138.7
[M]- 187.11150 138.7
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