CID 125425074

[6-(difluoromethoxy)pyridin-2-yl]methanamine

Structural Information

Molecular Formula
C7H8F2N2O
SMILES
C1=CC(=NC(=C1)OC(F)F)CN
InChI
InChI=1S/C7H8F2N2O/c8-7(9)12-6-3-1-2-5(4-10)11-6/h1-3,7H,4,10H2
InChIKey
SXHYTHGSAWHLLS-UHFFFAOYSA-N
Compound name
[6-(difluoromethoxy)-2-pyridinyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.06047 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.067746 132.0
[M+Na]+ 197.049688 140.1
[M-H]- 173.053194 131.4
[M+NH4]+ 192.094293 150.4
[M+K]+ 213.023628 138.2
[M+H-H2O]+ 157.057730 123.6
[M+HCOO]- 219.058671 153.5
[M+CH3COO]- 233.074321 181.5
[M+Na-2H]- 195.035136 137.5
[M]+ 174.05992142 128.8
[M]- 174.06101858 128.8
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.