CID 10556

Isobutyl iodide

Structural Information

Molecular Formula
C4H9I
SMILES
CC(C)CI
InChI
InChI=1S/C4H9I/c1-4(2)3-5/h4H,3H2,1-2H3
InChIKey
BTUGGGLMQBJCBN-UHFFFAOYSA-N
Compound name
1-iodo-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7595
Patents

183.9749 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.98218 123.1
[M+Na]+ 206.96412 123.7
[M-H]- 182.96762 117.1
[M+NH4]+ 202.00872 142.3
[M+K]+ 222.93806 129.9
[M+H-H2O]+ 166.97216 115.7
[M+HCOO]- 228.97310 141.2
[M+CH3COO]- 242.98875 174.5
[M+Na-2H]- 204.94957 117.4
[M]+ 183.97435 120.6
[M]- 183.97545 120.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe