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)pyridin-2-yl]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]+ 189.08341 136.7
[M+Na]+ 211.06535 144.4
[M-H]- 187.06885 135.9
[M+NH4]+ 206.10995 154.5
[M+K]+ 227.03929 142.2
[M+H-H2O]+ 171.07339 128.0
[M+HCOO]- 233.07433 157.8
[M+CH3COO]- 247.08998 184.5
[M+Na-2H]- 209.05080 141.6
[M]+ 188.07558 133.8
[M]- 188.07668 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.