CID 69390

3-iodo-1-propanol

Structural Information

Molecular Formula

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

2
Annotation Hits: 2
References: 1508
Patents: 185.95416 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	186.96144	124.8
[M+Na]+	208.94338	125.5
[M-H]-	184.94688	117.4
[M+NH4]+	203.98798	143.2
[M+K]+	224.91732	131.1
[M+H-H2O]+	168.95142	117.4
[M+HCOO]-	230.95236	142.9
[M+CH3COO]-	244.96801	170.0
[M+Na-2H]-	206.92883	119.9
[M]+	185.95361	122.1
[M]-	185.95471	122.1

Literature stripe

literature stripe

Patent stripe

patents stripe