CID 20121322

[2-(propan-2-yloxy)pyridin-3-yl]methanamine

Structural Information

Molecular Formula
C9H14N2O
SMILES
CC(C)OC1=C(C=CC=N1)CN
InChI
InChI=1S/C9H14N2O/c1-7(2)12-9-8(6-10)4-3-5-11-9/h3-5,7H,6,10H2,1-2H3
InChIKey
WVDJPTOJLZXHJV-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxypyridin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

166.11061 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 136.4
[M+Na]+ 189.09983 143.6
[M-H]- 165.10333 138.3
[M+NH4]+ 184.14443 155.3
[M+K]+ 205.07377 142.2
[M+H-H2O]+ 149.10787 129.6
[M+HCOO]- 211.10881 159.3
[M+CH3COO]- 225.12446 182.1
[M+Na-2H]- 187.08528 142.0
[M]+ 166.11006 136.2
[M]- 166.11116 136.2
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