CID 65251200

4-iodo-2,2-dimethylbutanenitrile

Structural Information

Molecular Formula
C6H10IN
SMILES
CC(C)(CCI)C#N
InChI
InChI=1S/C6H10IN/c1-6(2,5-8)3-4-7/h3-4H2,1-2H3
InChIKey
LIKXSHPIQFURTQ-UHFFFAOYSA-N
Compound name
4-iodo-2,2-dimethylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.9858 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.99308 135.6
[M+Na]+ 245.97502 138.5
[M-H]- 221.97852 130.8
[M+NH4]+ 241.01962 151.8
[M+K]+ 261.94896 143.1
[M+H-H2O]+ 205.98306 122.4
[M+HCOO]- 267.98400 150.0
[M+CH3COO]- 281.99965 192.9
[M+Na-2H]- 243.96047 131.3
[M]+ 222.98525 129.6
[M]- 222.98635 129.6
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

No patent data available for this compound.