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]+ 232.11545 151.7
[M+Na]+ 254.09739 160.0
[M-H]- 230.10089 159.0
[M+NH4]+ 249.14199 172.3
[M+K]+ 270.07133 155.3
[M+H-H2O]+ 214.10543 145.2
[M+HCOO]- 276.10637 172.8
[M+CH3COO]- 290.12202 192.8
[M+Na-2H]- 252.08284 153.2
[M]+ 231.10762 154.1
[M]- 231.10872 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.