CID 71748378

2639443-73-3

Structural Information

Molecular Formula
C11H18N2O2
SMILES
CC1=C(C=CN=C1CN)OCCCOC
InChI
InChI=1S/C11H18N2O2/c1-9-10(8-12)13-5-4-11(9)15-7-3-6-14-2/h4-5H,3,6-8,12H2,1-2H3
InChIKey
VGSJILMOTOAUMI-UHFFFAOYSA-N
Compound name
[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.13683 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.144106 147.9
[M+Na]+ 233.126048 155.4
[M-H]- 209.129554 149.7
[M+NH4]+ 228.170653 165.3
[M+K]+ 249.099988 153.5
[M+H-H2O]+ 193.134090 140.6
[M+HCOO]- 255.135031 171.4
[M+CH3COO]- 269.150681 190.5
[M+Na-2H]- 231.111496 152.9
[M]+ 210.13628142 150.9
[M]- 210.13737858 150.9
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

No patent data available for this compound.