CID 71565348

3-(iodomethyl)-1,1-dimethylcyclobutane

Structural Information

Molecular Formula
C7H13I
SMILES
CC1(CC(C1)CI)C
InChI
InChI=1S/C7H13I/c1-7(2)3-6(4-7)5-8/h6H,3-5H2,1-2H3
InChIKey
BOOVMEMADPXHFY-UHFFFAOYSA-N
Compound name
3-(iodomethyl)-1,1-dimethylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.0062 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.013476 130.9
[M+Na]+ 246.995418 131.1
[M-H]- 222.998924 128.3
[M+NH4]+ 242.040023 144.8
[M+K]+ 262.969358 138.6
[M+H-H2O]+ 207.003460 119.8
[M+HCOO]- 269.004401 147.8
[M+CH3COO]- 283.020051 184.2
[M+Na-2H]- 244.980866 125.6
[M]+ 224.00565142 136.3
[M]- 224.00674858 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.