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-amino-3-pyridinyl)oxy]-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

182.10553 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.112806 140.1
[M+Na]+ 205.094748 147.5
[M-H]- 181.098254 140.8
[M+NH4]+ 200.139353 157.7
[M+K]+ 221.068688 145.6
[M+H-H2O]+ 165.102790 133.9
[M+HCOO]- 227.103731 161.1
[M+CH3COO]- 241.119381 181.1
[M+Na-2H]- 203.080196 147.0
[M]+ 182.10498142 139.6
[M]- 182.10607858 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