CID 60785483

3-(5-fluoro-1-methyl-1h-1,3-benzodiazol-2-yl)propan-1-amine dihydrochloride

Structural Information

Molecular Formula
C11H14FN3
SMILES
CN1C2=C(C=C(C=C2)F)N=C1CCCN
InChI
InChI=1S/C11H14FN3/c1-15-10-5-4-8(12)7-9(10)14-11(15)3-2-6-13/h4-5,7H,2-3,6,13H2,1H3
InChIKey
NEIQHVRGCJSGLH-UHFFFAOYSA-N
Compound name
3-(5-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.11717 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.124446 143.8
[M+Na]+ 230.106388 154.9
[M-H]- 206.109894 144.8
[M+NH4]+ 225.150993 163.3
[M+K]+ 246.080328 150.4
[M+H-H2O]+ 190.114430 135.7
[M+HCOO]- 252.115371 166.6
[M+CH3COO]- 266.131021 190.1
[M+Na-2H]- 228.091836 149.2
[M]+ 207.11662142 144.9
[M]- 207.11771858 144.9
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

No patent data available for this compound.