CID 59293717

2-(4-iodopyridin-2-yl)-2-methylpropanenitrile

Structural Information

Molecular Formula
C9H9IN2
SMILES
CC(C)(C#N)C1=NC=CC(=C1)I
InChI
InChI=1S/C9H9IN2/c1-9(2,6-11)8-5-7(10)3-4-12-8/h3-5H,1-2H3
InChIKey
SUMBUMBXFZFCCY-UHFFFAOYSA-N
Compound name
2-(4-iodopyridin-2-yl)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

271.98105 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.98833 145.3
[M+Na]+ 294.97027 148.9
[M-H]- 270.97377 141.1
[M+NH4]+ 290.01487 158.3
[M+K]+ 310.94421 151.5
[M+H-H2O]+ 254.97831 129.8
[M+HCOO]- 316.97925 158.7
[M+CH3COO]- 330.99490 199.4
[M+Na-2H]- 292.95572 141.2
[M]+ 271.98050 138.4
[M]- 271.98160 138.4
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