CID 16227983

(2-methoxypyridin-4-yl)methanamine

Structural Information

Molecular Formula
C7H10N2O
SMILES
COC1=NC=CC(=C1)CN
InChI
InChI=1S/C7H10N2O/c1-10-7-4-6(5-8)2-3-9-7/h2-4H,5,8H2,1H3
InChIKey
UQAHBOKPZNLKRF-UHFFFAOYSA-N
Compound name
(2-methoxypyridin-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

504
Patents

138.07932 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 126.6
[M+Na]+ 161.06854 135.0
[M-H]- 137.07204 128.8
[M+NH4]+ 156.11314 146.7
[M+K]+ 177.04248 133.5
[M+H-H2O]+ 121.07658 120.2
[M+HCOO]- 183.07752 151.2
[M+CH3COO]- 197.09317 175.1
[M+Na-2H]- 159.05399 134.5
[M]+ 138.07877 126.3
[M]- 138.07987 126.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe