CID 59460690

(2-(difluoromethoxy)pyridin-4-yl)methanamine

Structural Information

Molecular Formula
C7H8F2N2O
SMILES
C1=CN=C(C=C1CN)OC(F)F
InChI
InChI=1S/C7H8F2N2O/c8-7(9)12-6-3-5(4-10)1-2-11-6/h1-3,7H,4,10H2
InChIKey
LNUNPTNLRWDQQO-UHFFFAOYSA-N
Compound name
[2-(difluoromethoxy)pyridin-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

174.06047 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06775 132.0
[M+Na]+ 197.04969 140.1
[M-H]- 173.05319 131.4
[M+NH4]+ 192.09429 150.4
[M+K]+ 213.02363 138.2
[M+H-H2O]+ 157.05773 123.6
[M+HCOO]- 219.05867 153.5
[M+CH3COO]- 233.07432 181.5
[M+Na-2H]- 195.03514 137.5
[M]+ 174.05992 128.8
[M]- 174.06102 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

patents stripe