CID 118941205

1886967-54-9

Structural Information

Molecular Formula
C8H13I
SMILES
CC(C)C12CC(C1)(C2)I
InChI
InChI=1S/C8H13I/c1-6(2)7-3-8(9,4-7)5-7/h6H,3-5H2,1-2H3
InChIKey
MWOIGWMAWHNFCI-UHFFFAOYSA-N
Compound name
1-iodo-3-propan-2-ylbicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

236.0062 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.01348 147.4
[M+Na]+ 258.99542 147.1
[M-H]- 234.99892 146.1
[M+NH4]+ 254.04002 152.4
[M+K]+ 274.96936 156.1
[M+H-H2O]+ 219.00346 133.8
[M+HCOO]- 281.00440 156.8
[M+CH3COO]- 295.02005 210.6
[M+Na-2H]- 256.98087 145.2
[M]+ 236.00565 168.5
[M]- 236.00675 168.5
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