CID 238233

1-(thiophen-2-yl)ethanamine

Structural Information

Molecular Formula
C6H9NS
SMILES
CC(C1=CC=CS1)N
InChI
InChI=1S/C6H9NS/c1-5(7)6-3-2-4-8-6/h2-5H,7H2,1H3
InChIKey
LYJBVRVJQXVVPI-UHFFFAOYSA-N
Compound name
1-thiophen-2-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

935
Patents

127.04557 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.052846 124.7
[M+Na]+ 150.034788 132.7
[M-H]- 126.038294 128.4
[M+NH4]+ 145.079393 148.7
[M+K]+ 166.008728 130.9
[M+H-H2O]+ 110.042830 119.5
[M+HCOO]- 172.043771 144.9
[M+CH3COO]- 186.059421 171.3
[M+Na-2H]- 148.020236 126.8
[M]+ 127.04502142 124.1
[M]- 127.04611858 124.1
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