CID 45079526

(3-methoxypyridin-2-yl)methanamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

138.07932 Da
Monoisotopic Mass

-0.3
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

No literature data available for this compound.

Patent stripe

patents stripe