CID 124172187

Refchem:897873

Structural Information

Molecular Formula
C5H6INS
SMILES
C1=CSC(=C1)CNI
InChI
InChI=1S/C5H6INS/c6-7-4-5-2-1-3-8-5/h1-3,7H,4H2
InChIKey
TXLLQJIHJUABAK-UHFFFAOYSA-N
Compound name
N-iodo-1-thiophen-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

238.92657 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.93385 135.4
[M+Na]+ 261.91579 136.8
[M-H]- 237.91929 132.6
[M+NH4]+ 256.96039 154.3
[M+K]+ 277.88973 140.6
[M+H-H2O]+ 221.92383 126.5
[M+HCOO]- 283.92477 152.3
[M+CH3COO]- 297.94042 180.1
[M+Na-2H]- 259.90124 127.5
[M]+ 238.92602 133.6
[M]- 238.92712 133.6
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