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-methoxypyridin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

156.06989 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07717 129.0
[M+Na]+ 179.05911 138.4
[M-H]- 155.06261 130.1
[M+NH4]+ 174.10371 148.6
[M+K]+ 195.03305 136.5
[M+H-H2O]+ 139.06715 121.8
[M+HCOO]- 201.06809 152.5
[M+CH3COO]- 215.08374 179.0
[M+Na-2H]- 177.04456 135.6
[M]+ 156.06934 128.0
[M]- 156.07044 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