CID 66569199

4-iodocyclohexanamine hydrochloride

Structural Information

Molecular Formula
C6H12IN
SMILES
C1CC(CCC1N)I
InChI
InChI=1S/C6H12IN/c7-5-1-3-6(8)4-2-5/h5-6H,1-4,8H2
InChIKey
GTMTYOCIGNBPSO-UHFFFAOYSA-N
Compound name
4-iodocyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

225.00145 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.00873 134.9
[M+Na]+ 247.99067 133.2
[M-H]- 223.99417 130.5
[M+NH4]+ 243.03527 151.7
[M+K]+ 263.96461 137.9
[M+H-H2O]+ 207.99871 126.0
[M+HCOO]- 269.99965 151.0
[M+CH3COO]- 284.01530 180.5
[M+Na-2H]- 245.97612 127.4
[M]+ 225.00090 125.8
[M]- 225.00200 125.8
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