CID 18423354

(3-fluoro-4-methylpyridin-2-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C7H9FN2
SMILES
CC1=C(C(=NC=C1)CN)F
InChI
InChI=1S/C7H9FN2/c1-5-2-3-10-6(4-9)7(5)8/h2-3H,4,9H2,1H3
InChIKey
OLOMPDJDZSJIRC-UHFFFAOYSA-N
Compound name
(3-fluoro-4-methylpyridin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

140.07498 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.08226 125.8
[M+Na]+ 163.06420 135.3
[M-H]- 139.06770 127.0
[M+NH4]+ 158.10880 146.2
[M+K]+ 179.03814 132.9
[M+H-H2O]+ 123.07224 118.9
[M+HCOO]- 185.07318 149.1
[M+CH3COO]- 199.08883 177.0
[M+Na-2H]- 161.04965 132.5
[M]+ 140.07443 123.4
[M]- 140.07553 123.4
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