CID 961381

Methyl[(5-methylthiophen-2-yl)methyl]amine hydrochloride

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 127.5
[M+Na]+ 164.05044 136.2
[M-H]- 140.05394 131.9
[M+NH4]+ 159.09504 151.6
[M+K]+ 180.02438 134.1
[M+H-H2O]+ 124.05848 122.4
[M+HCOO]- 186.05942 149.1
[M+CH3COO]- 200.07507 175.2
[M+Na-2H]- 162.03589 130.6
[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

literature stripe

Patent stripe

patents stripe