CID 13543714

494748-91-3

Structural Information

Molecular Formula
C5H12IN
SMILES
CN(C)CCCI
InChI
InChI=1S/C5H12IN/c1-7(2)5-3-4-6/h3-5H2,1-2H3
InChIKey
IWUNSWAWXUHGSB-UHFFFAOYSA-N
Compound name
3-iodo-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

213.00145 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.00873 129.6
[M+Na]+ 235.99067 132.5
[M+NH4]+ 231.03527 134.2
[M+K]+ 251.96461 130.0
[M-H]- 211.99417 124.5
[M+Na-2H]- 233.97612 122.2
[M]+ 213.00090 127.4
[M]- 213.00200 127.4
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