CID 71758289

[4-(2,2-difluoroethoxy)pyridin-2-yl]methanamine

Structural Information

Molecular Formula
C8H10F2N2O
SMILES
C1=CN=C(C=C1OCC(F)F)CN
InChI
InChI=1S/C8H10F2N2O/c9-8(10)5-13-7-1-2-12-6(3-7)4-11/h1-3,8H,4-5,11H2
InChIKey
OEJSCBJWSVWOTD-UHFFFAOYSA-N
Compound name
[4-(2,2-difluoroethoxy)-2-pyridinyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.07613 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.083406 136.7
[M+Na]+ 211.065348 144.4
[M-H]- 187.068854 135.9
[M+NH4]+ 206.109953 154.5
[M+K]+ 227.039288 142.2
[M+H-H2O]+ 171.073390 128.0
[M+HCOO]- 233.074331 157.8
[M+CH3COO]- 247.089981 184.5
[M+Na-2H]- 209.050796 141.6
[M]+ 188.07558142 133.8
[M]- 188.07667858 133.8
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.