CID 33788530

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

Structural Information

Molecular Formula
C10H16N2O
SMILES
CC(C)(C)OC1=NC=C(C=C1)CN
InChI
InChI=1S/C10H16N2O/c1-10(2,3)13-9-5-4-8(6-11)7-12-9/h4-5,7H,6,11H2,1-3H3
InChIKey
KFDNQGVJPWHBOK-UHFFFAOYSA-N
Compound name
[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

180.12627 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.133546 141.3
[M+Na]+ 203.115488 148.9
[M-H]- 179.118994 143.3
[M+NH4]+ 198.160093 160.0
[M+K]+ 219.089428 147.2
[M+H-H2O]+ 163.123530 135.0
[M+HCOO]- 225.124471 163.3
[M+CH3COO]- 239.140121 183.9
[M+Na-2H]- 201.100936 148.2
[M]+ 180.12572142 141.6
[M]- 180.12681858 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

patents stripe