CID 11127520

6727-75-9

Structural Information

Molecular Formula
C5H8IN
SMILES
C(CCI)CC#N
InChI
InChI=1S/C5H8IN/c6-4-2-1-3-5-7/h1-4H2
InChIKey
BUTKEUQCGYDXBR-UHFFFAOYSA-N
Compound name
5-iodopentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

32
Patents

208.97015 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.97743 127.7
[M+Na]+ 231.95937 130.6
[M-H]- 207.96287 122.8
[M+NH4]+ 227.00397 144.3
[M+K]+ 247.93331 135.1
[M+H-H2O]+ 191.96741 114.2
[M+HCOO]- 253.96835 143.8
[M+CH3COO]- 267.98400 190.1
[M+Na-2H]- 229.94482 123.8
[M]+ 208.96960 122.0
[M]- 208.97070 122.0
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