CID 49761758

(4-fluoropyridin-2-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C6H7FN2
SMILES
C1=CN=C(C=C1F)CN
InChI
InChI=1S/C6H7FN2/c7-5-1-2-9-6(3-5)4-8/h1-3H,4,8H2
InChIKey
DNMPPSVFDPNLTC-UHFFFAOYSA-N
Compound name
(4-fluoropyridin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

126.059326 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.06660 121.2
[M+Na]+ 149.04854 130.1
[M-H]- 125.05205 122.1
[M+NH4]+ 144.09315 141.8
[M+K]+ 165.02248 128.0
[M+H-H2O]+ 109.05659 114.2
[M+HCOO]- 171.05753 144.9
[M+CH3COO]- 185.07318 172.8
[M+Na-2H]- 147.03399 129.2
[M]+ 126.05878 118.1
[M]- 126.05987 118.1
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