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

182
Patents

141.06122 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06850 127.9
[M+Na]+ 164.05044 135.8
[M-H]- 140.05394 131.9
[M+NH4]+ 159.09504 151.7
[M+K]+ 180.02438 133.7
[M+H-H2O]+ 124.05848 122.5
[M+HCOO]- 186.05942 149.5
[M+CH3COO]- 200.07507 174.2
[M+Na-2H]- 162.03589 131.7
[M]+ 141.06067 129.3
[M]- 141.06177 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