CID 84070696

(3-fluoro-4-methoxypyridin-2-yl)methanamine

Structural Information

Molecular Formula
C7H9FN2O
SMILES
COC1=C(C(=NC=C1)CN)F
InChI
InChI=1S/C7H9FN2O/c1-11-6-2-3-10-5(4-9)7(6)8/h2-3H,4,9H2,1H3
InChIKey
MZQBYOLBYFHTNL-UHFFFAOYSA-N
Compound name
(3-fluoro-4-methoxy-2-pyridinyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

156.06989 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.077166 129.0
[M+Na]+ 179.059108 138.4
[M-H]- 155.062614 130.1
[M+NH4]+ 174.103713 148.6
[M+K]+ 195.033048 136.5
[M+H-H2O]+ 139.067150 121.8
[M+HCOO]- 201.068091 152.5
[M+CH3COO]- 215.083741 179.0
[M+Na-2H]- 177.044556 135.6
[M]+ 156.06934142 128.0
[M]- 156.07043858 128.0
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