CID 69390

3-iodo-1-propanol

Structural Information

Molecular Formula
C3H7IO
SMILES
C(CO)CI
InChI
InChI=1S/C3H7IO/c4-2-1-3-5/h5H,1-3H2
InChIKey
CQVWOJSAGPFDQL-UHFFFAOYSA-N
Compound name
3-iodopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1498
Patents

185.95416 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.961436 124.8
[M+Na]+ 208.943378 125.5
[M-H]- 184.946884 117.4
[M+NH4]+ 203.987983 143.2
[M+K]+ 224.917318 131.1
[M+H-H2O]+ 168.951420 117.4
[M+HCOO]- 230.952361 142.9
[M+CH3COO]- 244.968011 170.0
[M+Na-2H]- 206.928826 119.9
[M]+ 185.95361142 122.1
[M]- 185.95470858 122.1
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