CID 119096063

3-(2-iodoethoxy)prop-1-yne

Structural Information

Molecular Formula
C5H7IO
SMILES
C#CCOCCI
InChI
InChI=1S/C5H7IO/c1-2-4-7-5-3-6/h1H,3-5H2
InChIKey
SNIHFSORRRKZHM-UHFFFAOYSA-N
Compound name
3-(2-iodoethoxy)prop-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

209.95416 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.961436 126.2
[M+Na]+ 232.943378 129.7
[M-H]- 208.946884 120.2
[M+NH4]+ 227.987983 142.5
[M+K]+ 248.917318 133.7
[M+H-H2O]+ 192.951420 113.2
[M+HCOO]- 254.952361 140.5
[M+CH3COO]- 268.968011 185.4
[M+Na-2H]- 230.928826 121.9
[M]+ 209.95361142 120.8
[M]- 209.95470858 120.8
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