CID 18680455

1-iodo-4-methylcyclohexane

Structural Information

Molecular Formula
C7H13I
SMILES
CC1CCC(CC1)I
InChI
InChI=1S/C7H13I/c1-6-2-4-7(8)5-3-6/h6-7H,2-5H2,1H3
InChIKey
RSWJQRUZWIIGPT-UHFFFAOYSA-N
Compound name
1-iodo-4-methylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

225
Patents

224.0062 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.013476 130.8
[M+Na]+ 246.995418 129.6
[M-H]- 222.998924 126.9
[M+NH4]+ 242.040023 148.3
[M+K]+ 262.969358 134.6
[M+H-H2O]+ 207.003460 122.3
[M+HCOO]- 269.004401 146.5
[M+CH3COO]- 283.020051 179.6
[M+Na-2H]- 244.980866 124.1
[M]+ 224.00565142 123.9
[M]- 224.00674858 123.9
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