CID 92623

2-((3-iodopropin-2-yl)oxy)ethanol

Structural Information

Molecular Formula
C5H7IO2
SMILES
C(COCC#CI)O
InChI
InChI=1S/C5H7IO2/c6-2-1-4-8-5-3-7/h7H,3-5H2
InChIKey
OOTSVQHUKFSBSM-UHFFFAOYSA-N
Compound name
2-(3-iodoprop-2-ynoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

225.94908 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.956356 132.4
[M+Na]+ 248.938298 135.4
[M-H]- 224.941804 125.2
[M+NH4]+ 243.982903 147.5
[M+K]+ 264.912238 139.1
[M+H-H2O]+ 208.946340 119.4
[M+HCOO]- 270.947281 145.5
[M+CH3COO]- 284.962931 184.1
[M+Na-2H]- 246.923746 127.2
[M]+ 225.94853142 126.4
[M]- 225.94962858 126.4
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