CID 2761008

6-(tert-butoxy)picolinaldehyde

Structural Information

Molecular Formula
C10H13NO2
SMILES
CC(C)(C)OC1=CC=CC(=N1)C=O
InChI
InChI=1S/C10H13NO2/c1-10(2,3)13-9-6-4-5-8(7-12)11-9/h4-7H,1-3H3
InChIKey
MGCFGUKZOQKUSP-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxy]pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

179.09464 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 138.0
[M+Na]+ 202.08386 146.8
[M-H]- 178.08736 140.7
[M+NH4]+ 197.12846 157.2
[M+K]+ 218.05780 145.4
[M+H-H2O]+ 162.09190 132.0
[M+HCOO]- 224.09284 160.1
[M+CH3COO]- 238.10849 180.9
[M+Na-2H]- 200.06931 145.8
[M]+ 179.09409 140.9
[M]- 179.09519 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