CID 13398828

1-iodopropan-2-ol

Structural Information

Molecular Formula
C3H7IO
SMILES
CC(CI)O
InChI
InChI=1S/C3H7IO/c1-3(5)2-4/h3,5H,2H2,1H3
InChIKey
PMHHCLXJMNLEIE-UHFFFAOYSA-N
Compound name
1-iodopropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

185.95416 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.961436 124.7
[M+Na]+ 208.943378 125.2
[M-H]- 184.946884 117.5
[M+NH4]+ 203.987983 143.1
[M+K]+ 224.917318 131.2
[M+H-H2O]+ 168.951420 117.4
[M+HCOO]- 230.952361 141.9
[M+CH3COO]- 244.968011 170.8
[M+Na-2H]- 206.928826 118.7
[M]+ 185.95361142 121.4
[M]- 185.95470858 121.4
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