CID 693140

1041424-94-5

Structural Information

Molecular Formula
C6H9NS
SMILES
CNCC1=CSC=C1
InChI
InChI=1S/C6H9NS/c1-7-4-6-2-3-8-5-6/h2-3,5,7H,4H2,1H3
InChIKey
YZPQZFRRRSIHLR-UHFFFAOYSA-N
Compound name
N-methyl-1-thiophen-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

41
Patents

127.04557 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05285 124.4
[M+Na]+ 150.03479 135.1
[M+NH4]+ 145.07939 134.6
[M+K]+ 166.00873 128.2
[M-H]- 126.03829 127.5
[M+Na-2H]- 148.02024 130.7
[M]+ 127.04502 127.2
[M]- 127.04612 127.2
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