CID 80130645

[(6-methoxypyridin-2-yl)methyl][(3-methyloxetan-3-yl)methyl]amine

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CC1(COC1)CNCC2=NC(=CC=C2)OC
InChI
InChI=1S/C12H18N2O2/c1-12(8-16-9-12)7-13-6-10-4-3-5-11(14-10)15-2/h3-5,13H,6-9H2,1-2H3
InChIKey
NBINZIQBRJSRCS-UHFFFAOYSA-N
Compound name
1-(6-methoxypyridin-2-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.13683 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 147.9
[M+Na]+ 245.12605 153.2
[M-H]- 221.12955 153.6
[M+NH4]+ 240.17065 158.8
[M+K]+ 261.09999 155.8
[M+H-H2O]+ 205.13409 135.5
[M+HCOO]- 267.13503 168.9
[M+CH3COO]- 281.15068 193.7
[M+Na-2H]- 243.11150 155.7
[M]+ 222.13628 158.5
[M]- 222.13738 158.5
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.