CID 12258737

59311-67-0

Structural Information

Molecular Formula
C6H9NS
SMILES
C1=CSC=C1CCN
InChI
InChI=1S/C6H9NS/c7-3-1-6-2-4-8-5-6/h2,4-5H,1,3,7H2
InChIKey
OANLWIQYRRVBPY-UHFFFAOYSA-N
Compound name
2-thiophen-3-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

486
Patents

127.04557 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.052846 123.7
[M+Na]+ 150.034788 132.0
[M-H]- 126.038294 127.3
[M+NH4]+ 145.079393 147.8
[M+K]+ 166.008728 129.8
[M+H-H2O]+ 110.042830 118.5
[M+HCOO]- 172.043771 145.0
[M+CH3COO]- 186.059421 170.4
[M+Na-2H]- 148.020236 126.9
[M]+ 127.04502142 123.7
[M]- 127.04611858 123.7
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