CID 961667

4-ethyl-n-[(5-methylthiophen-2-yl)methyl]aniline

Structural Information

Molecular Formula
C14H17NS
SMILES
CCC1=CC=C(C=C1)NCC2=CC=C(S2)C
InChI
InChI=1S/C14H17NS/c1-3-12-5-7-13(8-6-12)15-10-14-9-4-11(2)16-14/h4-9,15H,3,10H2,1-2H3
InChIKey
LVGFANAILVSSMV-UHFFFAOYSA-N
Compound name
4-ethyl-N-[(5-methylthiophen-2-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10817 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.115446 151.7
[M+Na]+ 254.097388 160.0
[M-H]- 230.100894 159.0
[M+NH4]+ 249.141993 172.3
[M+K]+ 270.071328 155.3
[M+H-H2O]+ 214.105430 145.2
[M+HCOO]- 276.106371 172.8
[M+CH3COO]- 290.122021 192.8
[M+Na-2H]- 252.082836 153.2
[M]+ 231.10762142 154.1
[M]- 231.10871858 154.1
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

No patent data available for this compound.