CID 549274

2-iodo-2-methylpropionitrile

Structural Information

Molecular Formula
C4H6IN
SMILES
CC(C)(C#N)I
InChI
InChI=1S/C4H6IN/c1-4(2,5)3-6/h1-2H3
InChIKey
DBESYUOJKJZGLV-UHFFFAOYSA-N
Compound name
2-iodo-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

351
Patents

194.9545 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.961776 127.1
[M+Na]+ 217.943718 130.6
[M-H]- 193.947224 122.6
[M+NH4]+ 212.988323 144.2
[M+K]+ 233.917658 135.8
[M+H-H2O]+ 177.951760 114.3
[M+HCOO]- 239.952701 142.0
[M+CH3COO]- 253.968351 187.7
[M+Na-2H]- 215.929166 123.7
[M]+ 194.95395142 120.5
[M]- 194.95504858 120.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe