CID 16226824

(3-fluorophenyl)(1-methyl-1h-imidazol-2-yl)methanamine

Structural Information

Molecular Formula
C11H12FN3
SMILES
CN1C=CN=C1C(C2=CC(=CC=C2)F)N
InChI
InChI=1S/C11H12FN3/c1-15-6-5-14-11(15)10(13)8-3-2-4-9(12)7-8/h2-7,10H,13H2,1H3
InChIKey
MJRFADGYJSKDSG-UHFFFAOYSA-N
Compound name
(3-fluorophenyl)-(1-methylimidazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

205.10153 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.10881 143.2
[M+Na]+ 228.09075 151.9
[M-H]- 204.09425 146.2
[M+NH4]+ 223.13535 160.9
[M+K]+ 244.06469 148.2
[M+H-H2O]+ 188.09879 134.2
[M+HCOO]- 250.09973 165.2
[M+CH3COO]- 264.11538 188.2
[M+Na-2H]- 226.07620 146.6
[M]+ 205.10098 140.5
[M]- 205.10208 140.5
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