CID 53896098

1177253-40-5

Structural Information

Molecular Formula
C10H13NO2
SMILES
CC(C)(C)OC1=NC=C(C=C1)C=O
InChI
InChI=1S/C10H13NO2/c1-10(2,3)13-9-5-4-8(7-12)6-11-9/h4-7H,1-3H3
InChIKey
HTUZMRUNUUQBPY-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

179.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.101916 138.0
[M+Na]+ 202.083858 146.8
[M-H]- 178.087364 140.7
[M+NH4]+ 197.128463 157.2
[M+K]+ 218.057798 145.4
[M+H-H2O]+ 162.091900 132.0
[M+HCOO]- 224.092841 160.1
[M+CH3COO]- 238.108491 180.9
[M+Na-2H]- 200.069306 145.8
[M]+ 179.09409142 140.9
[M]- 179.09518858 140.9
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