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

72
Patents

127.04557 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.052846 123.4
[M+Na]+ 150.034788 131.7
[M-H]- 126.038294 127.6
[M+NH4]+ 145.079393 147.8
[M+K]+ 166.008728 129.9
[M+H-H2O]+ 110.042830 118.2
[M+HCOO]- 172.043771 145.3
[M+CH3COO]- 186.059421 171.2
[M+Na-2H]- 148.020236 127.7
[M]+ 127.04502142 124.5
[M]- 127.04611858 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