CID 130097548

1-[6-(difluoromethyl)-5-methylpyridin-2-yl]methanamine dihydrochloride

Structural Information

Molecular Formula
C8H10F2N2
SMILES
CC1=C(N=C(C=C1)CN)C(F)F
InChI
InChI=1S/C8H10F2N2/c1-5-2-3-6(4-11)12-7(5)8(9)10/h2-3,8H,4,11H2,1H3
InChIKey
GMAHUTJJWDEYCZ-UHFFFAOYSA-N
Compound name
[6-(difluoromethyl)-5-methylpyridin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.0812 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08848 133.5
[M+Na]+ 195.07042 142.3
[M-H]- 171.07392 133.2
[M+NH4]+ 190.11502 152.4
[M+K]+ 211.04436 139.6
[M+H-H2O]+ 155.07846 125.4
[M+HCOO]- 217.07940 154.4
[M+CH3COO]- 231.09505 183.7
[M+Na-2H]- 193.05587 137.7
[M]+ 172.08065 129.6
[M]- 172.08175 129.6
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.