CID 88529413

(4-iodobutyl)(methyl)aminehydroiodide

Structural Information

Molecular Formula
C5H12IN
SMILES
CNCCCCI
InChI
InChI=1S/C5H12IN/c1-7-5-3-2-4-6/h7H,2-5H2,1H3
InChIKey
OVPWEZMWPKRISI-UHFFFAOYSA-N
Compound name
4-iodo-N-methylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

213.00145 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.00873 135.4
[M+Na]+ 235.99067 134.9
[M-H]- 211.99417 129.0
[M+NH4]+ 231.03527 153.2
[M+K]+ 251.96461 140.3
[M+H-H2O]+ 195.99871 127.0
[M+HCOO]- 257.99965 155.0
[M+CH3COO]- 272.01530 181.0
[M+Na-2H]- 233.97612 130.0
[M]+ 213.00090 133.0
[M]- 213.00200 133.0
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