CID 2762531

(iodomethyl)cyclopentane

Structural Information

Molecular Formula
C6H11I
SMILES
C1CCC(C1)CI
InChI
InChI=1S/C6H11I/c7-5-6-3-1-2-4-6/h6H,1-5H2
InChIKey
DUMSKQUKLVSSII-UHFFFAOYSA-N
Compound name
iodomethylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1089
Patents

209.99055 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.997826 128.7
[M+Na]+ 232.979768 128.1
[M-H]- 208.983274 124.9
[M+NH4]+ 228.024373 148.2
[M+K]+ 248.953708 133.1
[M+H-H2O]+ 192.987810 120.3
[M+HCOO]- 254.988751 146.7
[M+CH3COO]- 269.004401 175.7
[M+Na-2H]- 230.965216 121.8
[M]+ 209.99000142 123.1
[M]- 209.99109858 123.1
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