CID 71317476

3-(dimethylamino)-2-iodoprop-2-enal

Structural Information

Molecular Formula
C5H8INO
SMILES
CN(C)C=C(C=O)I
InChI
InChI=1S/C5H8INO/c1-7(2)3-5(6)4-8/h3-4H,1-2H3
InChIKey
AHWCNVWCBYBGQI-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-2-iodoprop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

224.96506 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.97234 134.2
[M+Na]+ 247.95428 134.4
[M-H]- 223.95778 129.5
[M+NH4]+ 242.99888 152.0
[M+K]+ 263.92822 140.8
[M+H-H2O]+ 207.96232 125.8
[M+HCOO]- 269.96326 154.0
[M+CH3COO]- 283.97891 184.5
[M+Na-2H]- 245.93973 127.2
[M]+ 224.96451 132.5
[M]- 224.96561 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe