CID 50988363

2-(6-fluoro-1-methyl-1h-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C10H12FN3
SMILES
CN1C2=C(C=CC(=C2)F)N=C1CCN
InChI
InChI=1S/C10H12FN3/c1-14-9-6-7(11)2-3-8(9)13-10(14)4-5-12/h2-3,6H,4-5,12H2,1H3
InChIKey
QWZSNSFTWHCKCU-UHFFFAOYSA-N
Compound name
2-(6-fluoro-1-methylbenzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.10153 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.10881 139.1
[M+Na]+ 216.09075 150.6
[M-H]- 192.09425 140.3
[M+NH4]+ 211.13535 159.2
[M+K]+ 232.06469 146.4
[M+H-H2O]+ 176.09879 131.2
[M+HCOO]- 238.09973 162.2
[M+CH3COO]- 252.11538 187.1
[M+Na-2H]- 214.07620 145.1
[M]+ 193.10098 139.9
[M]- 193.10208 139.9
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.