CID 14249915

118488-08-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

373
Patents

127.04557 Da
Monoisotopic Mass

0.9
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

No literature data available for this compound.

Patent stripe

patents stripe