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

1086
Patents

209.99055 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.99783 128.7
[M+Na]+ 232.97977 128.1
[M-H]- 208.98327 124.9
[M+NH4]+ 228.02437 148.2
[M+K]+ 248.95371 133.1
[M+H-H2O]+ 192.98781 120.3
[M+HCOO]- 254.98875 146.7
[M+CH3COO]- 269.00440 175.7
[M+Na-2H]- 230.96522 121.8
[M]+ 209.99000 123.1
[M]- 209.99110 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