CID 13586586

N-ethylthiophen-3-amine hydrochloride

Structural Information

Molecular Formula
C6H9NS
SMILES
CCNC1=CSC=C1
InChI
InChI=1S/C6H9NS/c1-2-7-6-3-4-8-5-6/h3-5,7H,2H2,1H3
InChIKey
DTDHODSOKFHWQE-UHFFFAOYSA-N
Compound name
N-ethylthiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

127.04557 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05285 123.4
[M+Na]+ 150.03479 131.7
[M-H]- 126.03829 127.6
[M+NH4]+ 145.07939 147.8
[M+K]+ 166.00873 129.9
[M+H-H2O]+ 110.04283 118.2
[M+HCOO]- 172.04377 145.3
[M+CH3COO]- 186.05942 171.2
[M+Na-2H]- 148.02024 127.7
[M]+ 127.04502 124.5
[M]- 127.04612 124.5
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