CID 95702

26019-17-0

Structural Information

Molecular Formula
C7H11NS
SMILES
CN(C)CC1=CC=CS1
InChI
InChI=1S/C7H11NS/c1-8(2)6-7-4-3-5-9-7/h3-5H,6H2,1-2H3
InChIKey
DJQUVKALZASWTJ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-thiophen-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

166
Patents

141.06122 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06850 129.2
[M+Na]+ 164.05044 139.8
[M+NH4]+ 159.09504 139.5
[M+K]+ 180.02438 133.3
[M-H]- 140.05394 132.5
[M+Na-2H]- 162.03589 135.5
[M]+ 141.06067 132.1
[M]- 141.06177 132.1
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