CID 137944510

1-cyclopropyl-3-iodobicyclo[1.1.1]pentane

Structural Information

Molecular Formula
C8H11I
SMILES
C1CC1C23CC(C2)(C3)I
InChI
InChI=1S/C8H11I/c9-8-3-7(4-8,5-8)6-1-2-6/h6H,1-5H2
InChIKey
OILDZGBEDNSLKZ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-3-iodobicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.99055 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.99783 137.1
[M+Na]+ 256.97977 138.7
[M-H]- 232.98327 138.8
[M+NH4]+ 252.02437 139.3
[M+K]+ 272.95371 147.3
[M+H-H2O]+ 216.98781 123.7
[M+HCOO]- 278.98875 147.2
[M+CH3COO]- 293.00440 211.0
[M+Na-2H]- 254.96522 137.1
[M]+ 233.99000 158.8
[M]- 233.99110 158.8
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.