CID 74410

3-iodo-2-propynol

Structural Information

Molecular Formula
C3H3IO
SMILES
C(C#CI)O
InChI
InChI=1S/C3H3IO/c4-2-1-3-5/h5H,3H2
InChIKey
JYQJMGROXSSXDR-UHFFFAOYSA-N
Compound name
3-iodoprop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

245
Patents

181.92287 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.93015 120.6
[M+Na]+ 204.91209 124.4
[M-H]- 180.91559 113.8
[M+NH4]+ 199.95669 137.3
[M+K]+ 220.88603 128.2
[M+H-H2O]+ 164.92013 108.2
[M+HCOO]- 226.92107 134.1
[M+CH3COO]- 240.93672 177.4
[M+Na-2H]- 202.89754 116.6
[M]+ 181.92232 112.9
[M]- 181.92342 112.9
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