CID 34005

2-thiophenemethylamine

Structural Information

Molecular Formula
C5H7NS
SMILES
C1=CSC(=C1)CN
InChI
InChI=1S/C5H7NS/c6-4-5-2-1-3-7-5/h1-3H,4,6H2
InChIKey
FKKJJPMGAWGYPN-UHFFFAOYSA-N
Compound name
thiophen-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4803
Patents

113.02992 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.03720 119.9
[M+Na]+ 136.01914 130.4
[M+NH4]+ 131.06374 130.1
[M+K]+ 151.99308 124.1
[M-H]- 112.02264 122.8
[M+Na-2H]- 134.00459 125.9
[M]+ 113.02937 122.5
[M]- 113.03047 122.5
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