CID 50988368

2-(4-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/c1-14-8-4-2-3-7(11)10(8)13-9(14)5-6-12/h2-4H,5-6,12H2,1H3
InChIKey
CGPYMQNARPEMFO-UHFFFAOYSA-N
Compound name
2-(4-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]+ 194.108806 139.1
[M+Na]+ 216.090748 150.6
[M-H]- 192.094254 140.3
[M+NH4]+ 211.135353 159.2
[M+K]+ 232.064688 146.4
[M+H-H2O]+ 176.098790 131.2
[M+HCOO]- 238.099731 162.2
[M+CH3COO]- 252.115381 187.1
[M+Na-2H]- 214.076196 145.1
[M]+ 193.10098142 139.9
[M]- 193.10207858 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.