CID 86775719

2839156-47-5

Structural Information

Molecular Formula
C5H6INS
SMILES
C1=C(SC(=C1)I)CN
InChI
InChI=1S/C5H6INS/c6-5-2-1-4(3-7)8-5/h1-2H,3,7H2
InChIKey
KFBPBNIKCOEEHY-UHFFFAOYSA-N
Compound name
(5-iodothiophen-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.92657 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.93385 135.8
[M+Na]+ 261.91579 138.0
[M-H]- 237.91929 132.8
[M+NH4]+ 256.96039 154.7
[M+K]+ 277.88973 141.4
[M+H-H2O]+ 221.92383 127.1
[M+HCOO]- 283.92477 152.0
[M+CH3COO]- 297.94042 180.4
[M+Na-2H]- 259.90124 126.2
[M]+ 238.92602 133.3
[M]- 238.92712 133.3
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.