CID 85753350

1-tert-butyl-3-iodobicyclo[1.1.1]pentane

Structural Information

Molecular Formula
C9H15I
SMILES
CC(C)(C)C12CC(C1)(C2)I
InChI
InChI=1S/C9H15I/c1-7(2,3)8-4-9(10,5-8)6-8/h4-6H2,1-3H3
InChIKey
ZWACAJBNFQIWGZ-UHFFFAOYSA-N
Compound name
1-tert-butyl-3-iodobicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

250.02185 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.02913 151.8
[M+Na]+ 273.01107 151.8
[M-H]- 249.01457 150.6
[M+NH4]+ 268.05567 156.6
[M+K]+ 288.98501 160.5
[M+H-H2O]+ 233.01911 138.8
[M+HCOO]- 295.02005 160.6
[M+CH3COO]- 309.03570 211.9
[M+Na-2H]- 270.99652 150.5
[M]+ 250.02130 173.3
[M]- 250.02240 173.3
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

patents stripe