CID 436154

106891-32-1

Structural Information

Molecular Formula
C7H11NS
SMILES
CNCCC1=CC=CS1
InChI
InChI=1S/C7H11NS/c1-8-5-4-7-3-2-6-9-7/h2-3,6,8H,4-5H2,1H3
InChIKey
IKSCPAWBLQEUAG-UHFFFAOYSA-N
Compound name
N-methyl-2-thiophen-2-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

141.06122 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.068496 127.9
[M+Na]+ 164.050438 135.8
[M-H]- 140.053944 131.9
[M+NH4]+ 159.095043 151.7
[M+K]+ 180.024378 133.7
[M+H-H2O]+ 124.058480 122.5
[M+HCOO]- 186.059421 149.5
[M+CH3COO]- 200.075071 174.2
[M+Na-2H]- 162.035886 131.7
[M]+ 141.06067142 129.3
[M]- 141.06176858 129.3
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