CID 131697834

2460748-72-3

Structural Information

Molecular Formula
C7H12IN
SMILES
C1C2(CC1(C2)I)CCN
InChI
InChI=1S/C7H12IN/c8-7-3-6(4-7,5-7)1-2-9/h1-5,9H2
InChIKey
UNDOPGOXBWZDNS-UHFFFAOYSA-N
Compound name
2-(3-iodo-1-bicyclo[1.1.1]pentanyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.00145 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.00873 150.9
[M+Na]+ 259.99067 149.9
[M-H]- 235.99417 149.0
[M+NH4]+ 255.03527 155.1
[M+K]+ 275.96461 158.9
[M+H-H2O]+ 219.99871 136.1
[M+HCOO]- 281.99965 161.1
[M+CH3COO]- 296.01530 210.6
[M+Na-2H]- 257.97612 148.8
[M]+ 237.00090 170.8
[M]- 237.00200 170.8
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

No patent data available for this compound.