CID 637948

1-iodohex-1-yne

Structural Information

Molecular Formula
C6H9I
SMILES
CCCCC#CI
InChI
InChI=1S/C6H9I/c1-2-3-4-5-6-7/h2-4H2,1H3
InChIKey
SACKEEAAIYXWOZ-UHFFFAOYSA-N
Compound name
1-iodohex-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

144
Patents

207.9749 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.98218 126.9
[M+Na]+ 230.96412 130.2
[M-H]- 206.96762 121.0
[M+NH4]+ 226.00872 143.5
[M+K]+ 246.93806 133.6
[M+H-H2O]+ 190.97216 114.1
[M+HCOO]- 252.97310 140.8
[M+CH3COO]- 266.98875 185.8
[M+Na-2H]- 228.94957 122.3
[M]+ 207.97435 120.7
[M]- 207.97545 120.7
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