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

323
Patents

127.04557 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05285 124.7
[M+Na]+ 150.03479 132.7
[M-H]- 126.03829 128.4
[M+NH4]+ 145.07939 148.7
[M+K]+ 166.00873 130.9
[M+H-H2O]+ 110.04283 119.5
[M+HCOO]- 172.04377 144.9
[M+CH3COO]- 186.05942 171.3
[M+Na-2H]- 148.02024 126.8
[M]+ 127.04502 124.1
[M]- 127.04612 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