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]+ 225.01348 130.9
[M+Na]+ 246.99542 131.1
[M-H]- 222.99892 128.3
[M+NH4]+ 242.04002 144.8
[M+K]+ 262.96936 138.6
[M+H-H2O]+ 207.00346 119.8
[M+HCOO]- 269.00440 147.8
[M+CH3COO]- 283.02005 184.2
[M+Na-2H]- 244.98087 125.6
[M]+ 224.00565 136.3
[M]- 224.00675 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.