CID 72212080

[(5-methoxypyridin-2-yl)methyl](methyl)amine dihydrochloride

Structural Information

Molecular Formula
C8H12N2O
SMILES
CNCC1=NC=C(C=C1)OC
InChI
InChI=1S/C8H12N2O/c1-9-5-7-3-4-8(11-2)6-10-7/h3-4,6,9H,5H2,1-2H3
InChIKey
OBZUNPXMJPOKEY-UHFFFAOYSA-N
Compound name
1-(5-methoxy-2-pyridinyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

152.09496 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.102236 130.7
[M+Na]+ 175.084178 138.6
[M-H]- 151.087684 133.2
[M+NH4]+ 170.128783 150.5
[M+K]+ 191.058118 137.3
[M+H-H2O]+ 135.092220 124.0
[M+HCOO]- 197.093161 155.6
[M+CH3COO]- 211.108811 178.9
[M+Na-2H]- 173.069626 139.2
[M]+ 152.09441142 131.8
[M]- 152.09550858 131.8
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