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-methylpyridin-2-yl]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]+ 211.14411 147.9
[M+Na]+ 233.12605 155.4
[M-H]- 209.12955 149.7
[M+NH4]+ 228.17065 165.3
[M+K]+ 249.09999 153.5
[M+H-H2O]+ 193.13409 140.6
[M+HCOO]- 255.13503 171.4
[M+CH3COO]- 269.15068 190.5
[M+Na-2H]- 231.11150 152.9
[M]+ 210.13628 150.9
[M]- 210.13738 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.