CID 29001253

2-(tert-butoxy)pyridine-4-carbonitrile

Structural Information

Molecular Formula
C10H12N2O
SMILES
CC(C)(C)OC1=NC=CC(=C1)C#N
InChI
InChI=1S/C10H12N2O/c1-10(2,3)13-9-6-8(7-11)4-5-12-9/h4-6H,1-3H3
InChIKey
MRKGWHOKZRAFEQ-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxy]pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.09496 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 139.7
[M+Na]+ 199.08418 149.7
[M-H]- 175.08768 141.7
[M+NH4]+ 194.12878 156.9
[M+K]+ 215.05812 147.7
[M+H-H2O]+ 159.09222 126.9
[M+HCOO]- 221.09316 157.7
[M+CH3COO]- 235.10881 193.3
[M+Na-2H]- 197.06963 146.6
[M]+ 176.09441 136.2
[M]- 176.09551 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

No patent data available for this compound.