CID 961381

912569-78-9

Structural Information

Molecular Formula
C7H11NS
SMILES
CC1=CC=C(S1)CNC
InChI
InChI=1S/C7H11NS/c1-6-3-4-7(9-6)5-8-2/h3-4,8H,5H2,1-2H3
InChIKey
XZPLAHRPQQWZFX-UHFFFAOYSA-N
Compound name
N-methyl-1-(5-methylthiophen-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

141.06122 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06850 128.8
[M+Na]+ 164.05044 139.6
[M+NH4]+ 159.09504 138.8
[M+K]+ 180.02438 132.7
[M-H]- 140.05394 131.8
[M+Na-2H]- 162.03589 134.6
[M]+ 141.06067 131.6
[M]- 141.06177 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe