CID 640543

Thiophen-3-amine hydrochloride

Structural Information

Molecular Formula
C4H5NS
SMILES
C1=CSC=C1N
InChI
InChI=1S/C4H5NS/c5-4-1-2-6-3-4/h1-3H,5H2
InChIKey
DKGYESBFCGKOJC-UHFFFAOYSA-N
Compound name
thiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2347
Patents

99.01427 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.02155 114.7
[M+Na]+ 122.00349 123.9
[M-H]- 98.006994 118.7
[M+NH4]+ 117.04809 139.9
[M+K]+ 137.97743 122.2
[M+H-H2O]+ 82.011530 109.9
[M+HCOO]- 144.01247 136.6
[M+CH3COO]- 158.02812 164.4
[M+Na-2H]- 119.98894 119.0
[M]+ 99.013721 114.0
[M]- 99.014819 114.0
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