CID 5743396

4-methylthiophen-3-amine hydrochloride

Structural Information

Molecular Formula
C5H7NS
SMILES
CC1=CSC=C1N
InChI
InChI=1S/C5H7NS/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3
InChIKey
HFOFPDGUBCVRIQ-UHFFFAOYSA-N
Compound name
4-methylthiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

113.02992 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.03720 119.9
[M+Na]+ 136.01914 130.8
[M+NH4]+ 131.06374 130.0
[M+K]+ 151.99308 124.6
[M-H]- 112.02264 122.8
[M+Na-2H]- 134.00459 125.7
[M]+ 113.02937 122.6
[M]- 113.03047 122.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe