CID 84685292

(4-bromo-2,5-dimethylthiophen-3-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C7H10BrNS
SMILES
CC1=C(C(=C(S1)C)Br)CN
InChI
InChI=1S/C7H10BrNS/c1-4-6(3-9)7(8)5(2)10-4/h3,9H2,1-2H3
InChIKey
DBSWDWGLSRBYJS-UHFFFAOYSA-N
Compound name
(4-bromo-2,5-dimethylthiophen-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.97173 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.97901 133.8
[M+Na]+ 241.96095 135.8
[M+NH4]+ 237.00555 139.6
[M+K]+ 257.93489 135.9
[M-H]- 217.96445 135.0
[M+Na-2H]- 239.94640 135.9
[M]+ 218.97118 133.6
[M]- 218.97228 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

No patent data available for this compound.