CID 66748977

1253911-35-1

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CC(C)(COC1=CN=C(C=C1)N)O
InChI
InChI=1S/C9H14N2O2/c1-9(2,12)6-13-7-3-4-8(10)11-5-7/h3-5,12H,6H2,1-2H3,(H2,10,11)
InChIKey
ROVQBGXPYIGTEF-UHFFFAOYSA-N
Compound name
1-(6-aminopyridin-3-yl)oxy-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

182.10553 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 140.1
[M+Na]+ 205.09475 147.5
[M-H]- 181.09825 140.8
[M+NH4]+ 200.13935 157.7
[M+K]+ 221.06869 145.6
[M+H-H2O]+ 165.10279 133.9
[M+HCOO]- 227.10373 161.1
[M+CH3COO]- 241.11938 181.1
[M+Na-2H]- 203.08020 147.0
[M]+ 182.10498 139.6
[M]- 182.10608 139.6
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