CID 2761004

[2-(tert-butoxy)pyridin-3-yl]methanamine

Structural Information

Molecular Formula
C10H16N2O
SMILES
CC(C)(C)OC1=C(C=CC=N1)CN
InChI
InChI=1S/C10H16N2O/c1-10(2,3)13-9-8(7-11)5-4-6-12-9/h4-6H,7,11H2,1-3H3
InChIKey
YASWEPDVXCKCPE-UHFFFAOYSA-N
Compound name
[2-[(2-methylpropan-2-yl)oxy]pyridin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

180.12627 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.13355 141.3
[M+Na]+ 203.11549 148.9
[M-H]- 179.11899 143.3
[M+NH4]+ 198.16009 160.0
[M+K]+ 219.08943 147.2
[M+H-H2O]+ 163.12353 135.0
[M+HCOO]- 225.12447 163.3
[M+CH3COO]- 239.14012 183.9
[M+Na-2H]- 201.10094 148.2
[M]+ 180.12572 141.6
[M]- 180.12682 141.6
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.