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

61
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 133.9
[M+Na]+ 235.99067 133.6
[M-H]- 211.99417 128.9
[M+NH4]+ 231.03527 152.3
[M+K]+ 251.96461 140.3
[M+H-H2O]+ 195.99871 125.4
[M+HCOO]- 257.99965 154.0
[M+CH3COO]- 272.01530 184.4
[M+Na-2H]- 233.97612 128.0
[M]+ 213.00090 132.8
[M]- 213.00200 132.8
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